4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole

C227H138N28OS2 — CID 157218060

IUPAC4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccc9sc%10cccnc%10c9n8)c7c6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9oc%10cccnc%10c9c8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9sc%10cccnc%10c9c8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N8.C56H34N6S.C55H33N7O.C55H33N7S/c1-4-15-39(16-5-1)50-36-59(66-61(65-50)40-17-6-2-7-18-40)69-54-24-13-11-22-46(54)48-33-41(27-30-55(48)69)51-37-62-38-52(64-51)42-26-29-47-45-21-10-12-23-53(45)68(58(47)34-42)44-28-31-56-49(35-44)60-57(25-14-32-63-60)67(56)43-19-8-3-9-20-43;1-3-13-35(14-4-1)45-34-53(60-56(58-45)36-15-5-2-6-16-36)61-47-22-10-8-20-42(47)44-32-39(25-27-48(44)61)37-17-11-18-38(31-37)40-24-26-43-41-19-7-9-21-46(41)62(49(43)33-40)52-29-28-51-55(59-52)54-50(63-51)23-12-30-57-54;2*1-3-12-34(13-4-1)44-31-53(60-55(59-44)35-14-5-2-6-15-35)62-48-19-10-8-17-40(48)42-28-36(22-25-49(42)62)45-32-56-33-46(58-45)37-21-24-41-39-16-7-9-18-47(39)61(50(41)29-37)38-23-26-51-43(30-38)54-52(63-51)20-11-27-57-54/h1-38H;1-34H;2*1-33H
InChIKeyASQQACRIFHTNCZ-UHFFFAOYSA-N
MW3337.93 g/mol
LogP56.43
Rot. Bonds25

About 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole

4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 157218060) has the molecular formula C227H138N28OS2 and a molecular weight of 3337.93 g/mol. Its IUPAC name is 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

Compound Name4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
PubChem CID157218060
Molecular FormulaC227H138N28OS2
Molecular Weight3337.93 g/mol
Exact Mass3335.10
IUPAC Name4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccc9sc%10cccnc%10c9n8)c7c6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9oc%10cccnc%10c9c8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9sc%10cccnc%10c9c8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N8.C56H34N6S.C55H33N7O.C55H33N7S/c1-4-15-39(16-5-1)50-36-59(66-61(65-50)40-17-6-2-7-18-40)69-54-24-13-11-22-46(54)48-33-41(27-30-55(48)69)51-37-62-38-52(64-51)42-26-29-47-45-21-10-12-23-53(45)68(58(47)34-42)44-28-31-56-49(35-44)60-57(25-14-32-63-60)67(56)43-19-8-3-9-20-43;1-3-13-35(14-4-1)45-34-53(60-56(58-45)36-15-5-2-6-16-36)61-47-22-10-8-20-42(47)44-32-39(25-27-48(44)61)37-17-11-18-38(31-37)40-24-26-43-41-19-7-9-21-46(41)62(49(43)33-40)52-29-28-51-55(59-52)54-50(63-51)23-12-30-57-54;2*1-3-12-34(13-4-1)44-31-53(60-55(59-44)35-14-5-2-6-15-35)62-48-19-10-8-17-40(48)42-28-36(22-25-49(42)62)45-32-56-33-46(58-45)37-21-24-41-39-16-7-9-18-47(39)61(50(41)29-37)38-23-26-51-43(30-38)54-52(63-51)20-11-27-57-54/h1-38H;1-34H;2*1-33H
InChIKeyASQQACRIFHTNCZ-UHFFFAOYSA-N
XLogP56.43
TPSA302.42 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003337.93
LogP ≤ 556.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole with MolForge

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Related Compounds

2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157432745
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
CID 157743742
CID 157743742
CID 158466648
CID 158466648
CID 159159957
CID 159159957
CID 159485479
CID 159485479
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
CID 160462532
CID 160462532
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(2-pyridin-2-ylcarbazol-9-yl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160533362
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160542497
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160830901
CID 161814794
CID 161814794

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The IUPAC name of 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole (CID 157218060) is 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole.
What is the SMILES notation for 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The canonical SMILES for 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccc9sc%10cccnc%10c9n8)c7c6)c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9c(c8)c8ncccc8n9-c8ccccc8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9oc%10cccnc%10c9c8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cncc(-c6ccc7c8ccccc8n(-c8ccc9sc%10cccnc%10c9c8)c7c6)n5)ccc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
The InChIKey is ASQQACRIFHTNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N8.C56H34N6S.C55H33N7O.C55H33N7S/c1-4-15-39(16-5-1)50-36-59(66-61(65-50)40-17-6-2-7-18-40)69-54-24-13-11-22-46(54)48-33-41(27-30-55(48)69)51-37-62-38-52(64-51)42-26-29-47-45-21-10-12-23-53(45)68(58(47)34-42)44-28-31-56-49(35-44)60-57(25-14-32-63-60)67(56)43-19-8-3-9-20-43;1-3-13-35(14-4-1)45-34-53(60-56(58-45)36-15-5-2-6-16-36)61-47-22-10-8-20-42(47)44-32-39(25-27-48(44)61)37-17-11-18-38(31-37)40-24-26-43-41-19-7-9-21-46(41)62(49(43)33-40)52-29-28-51-55(59-52)54-50(63-51)23-12-30-57-54;2*1-3-12-34(13-4-1)44-31-53(60-55(59-44)35-14-5-2-6-15-35)62-48-19-10-8-17-40(48)42-28-36(22-25-49(42)62)45-32-56-33-46(58-45)37-21-24-41-39-16-7-9-18-47(39)61(50(41)29-37)38-23-26-51-43(30-38)54-52(63-51)20-11-27-57-54/h1-38H;1-34H;2*1-33H.
What are the key properties of 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole?
4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 3337.93 g/mol, XLogP of 56.43, 25 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;8-[2-[6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 157218060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).