2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C127H80N8OS — CID 158659410

IUPAC2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2cc(-c3nccc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)cc4)cc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C66H40N4S.C61H40N4O/c1-2-14-49(15-3-1)70-60-36-31-48(40-56(60)63-61(70)37-34-53-52-17-8-11-21-62(52)71-65(53)63)47-30-35-59-55(39-47)51-16-7-10-20-58(51)69(59)50-32-28-44(29-33-50)66-67-57-19-9-6-18-54(57)64(68-66)43-25-22-42(23-26-43)46-27-24-41-12-4-5-13-45(41)38-46;1-61(2)50-35-40(60-62-32-31-52(63-60)37-13-5-3-6-14-37)21-25-43(50)44-26-24-42(36-51(44)61)65-53-19-11-9-17-45(53)48-33-38(22-28-54(48)65)39-23-29-55-49(34-39)58-56(64(55)41-15-7-4-8-16-41)30-27-47-46-18-10-12-20-57(46)66-59(47)58/h1-40H;3-36H,1-2H3
InChIKeyICOGIANUZZGQGX-UHFFFAOYSA-N
MW1766.16 g/mol
LogP33.89
Rot. Bonds11

About 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole

2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 158659410) has the molecular formula C127H80N8OS and a molecular weight of 1766.16 g/mol. Its IUPAC name is 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID158659410
Molecular FormulaC127H80N8OS
Molecular Weight1766.16 g/mol
Exact Mass1764.62
IUPAC Name2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(C)c2cc(-c3nccc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)cc4)cc3c3c4sc5ccccc5c4ccc32)cc1
InChIInChI=1S/C66H40N4S.C61H40N4O/c1-2-14-49(15-3-1)70-60-36-31-48(40-56(60)63-61(70)37-34-53-52-17-8-11-21-62(52)71-65(53)63)47-30-35-59-55(39-47)51-16-7-10-20-58(51)69(59)50-32-28-44(29-33-50)66-67-57-19-9-6-18-54(57)64(68-66)43-25-22-42(23-26-43)46-27-24-41-12-4-5-13-45(41)38-46;1-61(2)50-35-40(60-62-32-31-52(63-60)37-13-5-3-6-14-37)21-25-43(50)44-26-24-42(36-51(44)61)65-53-19-11-9-17-45(53)48-33-38(22-28-54(48)65)39-23-29-55-49(34-39)58-56(64(55)41-15-7-4-8-16-41)30-27-47-46-18-10-12-20-57(46)66-59(47)58/h1-40H;3-36H,1-2H3
InChIKeyICOGIANUZZGQGX-UHFFFAOYSA-N
XLogP33.89
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001766.16
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 159749982
5-(3-naphthalen-2-ylnaphthalen-2-yl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-[4-(9-phenylcarbazol-2-yl)quinolin-2-yl]-[1]benzothiolo[3,2-c]carbazole;3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158091828
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157086336
19-(9,9-dimethylfluoren-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;8,15-diphenyl-19-(3-phenylphenyl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 157124821
3-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-[4-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]phenyl]carbazole;5-[4-dibenzofuran-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-dibenzothiophen-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;1,2-diphenyl-5-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 159852810
9-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)carbazol-3-yl]-5-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 170096364
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 157438203
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
5-(4-dibenzofuran-4-ylquinazolin-2-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;5-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]quinazolin-2-yl]-2-phenylbenzo[b]carbazole
CID 161267924

Frequently Asked Questions

What is the IUPAC name of 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 158659410) is 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole is CC1(C)c2cc(-c3nccc(-c4ccccc4)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7oc8ccccc8c7ccc5n6-c5ccccc5)ccc43)cc21.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6n5)cc4)cc3c3c4sc5ccccc5c4ccc32)cc1.
What is the InChIKey of 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is ICOGIANUZZGQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N4S.C61H40N4O/c1-2-14-49(15-3-1)70-60-36-31-48(40-56(60)63-61(70)37-34-53-52-17-8-11-21-62(52)71-65(53)63)47-30-35-59-55(39-47)51-16-7-10-20-58(51)69(59)50-32-28-44(29-33-50)66-67-57-19-9-6-18-54(57)64(68-66)43-25-22-42(23-26-43)46-27-24-41-12-4-5-13-45(41)38-46;1-61(2)50-35-40(60-62-32-31-52(63-60)37-13-5-3-6-14-37)21-25-43(50)44-26-24-42(36-51(44)61)65-53-19-11-9-17-45(53)48-33-38(22-28-54(48)65)39-23-29-55-49(34-39)58-56(64(55)41-15-7-4-8-16-41)30-27-47-46-18-10-12-20-57(46)66-59(47)58/h1-40H;3-36H,1-2H3.
What are the key properties of 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1766.16 g/mol, XLogP of 33.89, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[9,9-dimethyl-7-(4-phenylpyrimidin-2-yl)fluoren-2-yl]carbazol-3-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 158659410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).