2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine

C190H116N16O3S — CID 159361065

IUPAC2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6oc7ccccc7c6n5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ncc8oc9ccccc9c8n7)c6c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ncc8oc9ccccc9c8n7)c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc6c5sc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C52H32N4S.3C46H28N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)55-44-23-10-7-20-39(44)41-28-26-37(32-47(41)55)36-27-29-46-43(31-36)40-21-8-11-24-45(40)56(46)52-50-49(42-22-9-12-25-48(42)57-50)53-51(54-52)34-16-5-2-6-17-34;1-2-11-29(12-3-1)30-13-10-14-33(25-30)49-39-18-7-5-16-35(39)38-26-31(22-24-41(38)49)32-21-23-36-34-15-4-8-19-40(34)50(42(36)27-32)46-47-28-44-45(48-46)37-17-6-9-20-43(37)51-44;1-2-10-29(11-3-1)30-18-22-33(23-19-30)49-39-15-7-5-13-35(39)38-26-31(21-25-41(38)49)32-20-24-36-34-12-4-8-16-40(34)50(42(36)27-32)46-47-28-44-45(48-46)37-14-6-9-17-43(37)51-44;1-2-10-29(11-3-1)30-18-22-33(23-19-30)49-39-15-7-4-12-34(39)37-26-31(20-24-41(37)49)32-21-25-42-38(27-32)35-13-5-8-16-40(35)50(42)46-47-28-44-45(48-46)36-14-6-9-17-43(36)51-44/h1-32H;3*1-28H
InChIKeyLINVKBKEDOHZJQ-UHFFFAOYSA-N
MW2703.19 g/mol
LogP49.75
Rot. Bonds17

About 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159361065) has the molecular formula C190H116N16O3S and a molecular weight of 2703.19 g/mol. Its IUPAC name is 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159361065
Molecular FormulaC190H116N16O3S
Molecular Weight2703.19 g/mol
Exact Mass2700.91
IUPAC Name2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6oc7ccccc7c6n5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ncc8oc9ccccc9c8n7)c6c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ncc8oc9ccccc9c8n7)c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc6c5sc5ccccc56)cc43)c2)cc1
InChIInChI=1S/C52H32N4S.3C46H28N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)55-44-23-10-7-20-39(44)41-28-26-37(32-47(41)55)36-27-29-46-43(31-36)40-21-8-11-24-45(40)56(46)52-50-49(42-22-9-12-25-48(42)57-50)53-51(54-52)34-16-5-2-6-17-34;1-2-11-29(12-3-1)30-13-10-14-33(25-30)49-39-18-7-5-16-35(39)38-26-31(22-24-41(38)49)32-21-23-36-34-15-4-8-19-40(34)50(42(36)27-32)46-47-28-44-45(48-46)37-17-6-9-20-43(37)51-44;1-2-10-29(11-3-1)30-18-22-33(23-19-30)49-39-15-7-5-13-35(39)38-26-31(21-25-41(38)49)32-20-24-36-34-12-4-8-16-40(34)50(42(36)27-32)46-47-28-44-45(48-46)37-14-6-9-17-43(37)51-44;1-2-10-29(11-3-1)30-18-22-33(23-19-30)49-39-15-7-4-12-34(39)37-26-31(20-24-41(37)49)32-21-25-42-38(27-32)35-13-5-8-16-40(35)50(42)46-47-28-44-45(48-46)36-14-6-9-17-43(36)51-44/h1-32H;3*1-28H
InChIKeyLINVKBKEDOHZJQ-UHFFFAOYSA-N
XLogP49.75
TPSA181.98 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002703.19
LogP ≤ 549.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine 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
3-[3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;9-[5-(3-isocyanophenyl)-3-(2-pyrimidin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 159453971
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2-cyano-6-methylphenyl)benzonitrile;2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 159561087
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
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
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160897693
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6,7-dimethyl-1-quinazolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-quinolin-6-yl-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-9-hydroxy-5-methyl-12-quinolin-6-yl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 160916672
3,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile;3,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile;3,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile;4-[3-isocyano-5-(trifluoromethyl)phenyl]-3,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 161414512
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 162266131

Frequently Asked Questions

What is the IUPAC name of 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 159361065) is 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6oc7ccccc7c6n5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ncc8oc9ccccc9c8n7)c6c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ncc8oc9ccccc9c8n7)c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc6c5sc5ccccc56)cc43)c2)cc1.
What is the InChIKey of 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is LINVKBKEDOHZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S.3C46H28N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)55-44-23-10-7-20-39(44)41-28-26-37(32-47(41)55)36-27-29-46-43(31-36)40-21-8-11-24-45(40)56(46)52-50-49(42-22-9-12-25-48(42)57-50)53-51(54-52)34-16-5-2-6-17-34;1-2-11-29(12-3-1)30-13-10-14-33(25-30)49-39-18-7-5-16-35(39)38-26-31(22-24-41(38)49)32-21-23-36-34-15-4-8-19-40(34)50(42(36)27-32)46-47-28-44-45(48-46)37-17-6-9-20-43(37)51-44;1-2-10-29(11-3-1)30-18-22-33(23-19-30)49-39-15-7-5-13-35(39)38-26-31(21-25-41(38)49)32-20-24-36-34-12-4-8-16-40(34)50(42(36)27-32)46-47-28-44-45(48-46)37-14-6-9-17-43(37)51-44;1-2-10-29(11-3-1)30-18-22-33(23-19-30)49-39-15-7-4-12-34(39)37-26-31(20-24-41(37)49)32-21-25-42-38(27-32)35-13-5-8-16-40(35)50(42)46-47-28-44-45(48-46)36-14-6-9-17-43(36)51-44/h1-32H;3*1-28H.
What are the key properties of 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2703.19 g/mol, XLogP of 49.75, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159361065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).