12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C198H125N9O2S — CID 157206317

IUPAC12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H35N3.2C48H30N2O.C48H30N2S/c1-3-17-36(18-4-1)40-27-16-28-41(54(40)57-46-29-11-7-23-42(46)43-24-8-12-30-47(43)57)37-19-15-22-39(35-37)56-49-32-14-10-26-45(49)53-51(56)34-33-50-52(53)44-25-9-13-31-48(44)55(50)38-20-5-2-6-21-38;1-2-13-31(14-3-1)34-19-12-20-35(46(34)50-43-22-9-4-15-36(43)37-16-5-10-23-44(37)50)32-25-27-33(28-26-32)49-42-21-8-6-17-38(42)40-29-30-41-39-18-7-11-24-45(39)51-48(41)47(40)49;2*1-2-14-31(15-3-1)34-22-13-23-35(47(34)50-41-24-8-4-18-36(41)37-19-5-9-25-42(37)50)32-16-12-17-33(30-32)49-43-26-10-6-21-40(43)46-44(49)29-28-39-38-20-7-11-27-45(38)51-48(39)46/h1-35H;3*1-30H
InChIKeyARKAUBMNBUARTA-UHFFFAOYSA-N
MW2694.31 g/mol
LogP54.12
Rot. Bonds17

About 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 157206317) has the molecular formula C198H125N9O2S and a molecular weight of 2694.31 g/mol. Its IUPAC name is 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID157206317
Molecular FormulaC198H125N9O2S
Molecular Weight2694.31 g/mol
Exact Mass2691.97
IUPAC Name12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H35N3.2C48H30N2O.C48H30N2S/c1-3-17-36(18-4-1)40-27-16-28-41(54(40)57-46-29-11-7-23-42(46)43-24-8-12-30-47(43)57)37-19-15-22-39(35-37)56-49-32-14-10-26-45(49)53-51(56)34-33-50-52(53)44-25-9-13-31-48(44)55(50)38-20-5-2-6-21-38;1-2-13-31(14-3-1)34-19-12-20-35(46(34)50-43-22-9-4-15-36(43)37-16-5-10-23-44(37)50)32-25-27-33(28-26-32)49-42-21-8-6-17-38(42)40-29-30-41-39-18-7-11-24-45(39)51-48(41)47(40)49;2*1-2-14-31(15-3-1)34-22-13-23-35(47(34)50-41-24-8-4-18-36(41)37-19-5-9-25-42(37)50)32-16-12-17-33(30-32)49-43-26-10-6-21-40(43)46-44(49)29-28-39-38-20-7-11-27-45(38)51-48(39)46/h1-35H;3*1-30H
InChIKeyARKAUBMNBUARTA-UHFFFAOYSA-N
XLogP54.12
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002694.31
LogP ≤ 554.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
21-Phenyl-6-[4-(5,14,23-trifluoro-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-18-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 134232976
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841
N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717115
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717118
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-4-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-4-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157140438
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole;3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 157265144
7-N-(7,9-dimethylcarbazol-2-yl)-7-N-(2,4-dimethylphenyl)-2-N,9-dimethyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;7-N-(7,9-dimethylcarbazol-2-yl)-2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-phenylcarbazole-2,7-diamine;2-N-(2,4-dimethylphenyl)-7-N,9,9-trimethyl-7-N-[4-(trifluoromethyl)phenyl]-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine;3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine;3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzothiophen-3-yl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 157716668
N-(4-carbazol-9-ylphenyl)-2-[3-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine;N-(3,5-diphenylphenyl)-2-[3-(N-(3,5-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]-1,3-benzoxazol-6-amine
CID 157911216
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-3-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-3-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157918201

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 157206317) is 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is ARKAUBMNBUARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.2C48H30N2O.C48H30N2S/c1-3-17-36(18-4-1)40-27-16-28-41(54(40)57-46-29-11-7-23-42(46)43-24-8-12-30-47(43)57)37-19-15-22-39(35-37)56-49-32-14-10-26-45(49)53-51(56)34-33-50-52(53)44-25-9-13-31-48(44)55(50)38-20-5-2-6-21-38;1-2-13-31(14-3-1)34-19-12-20-35(46(34)50-43-22-9-4-15-36(43)37-16-5-10-23-44(37)50)32-25-27-33(28-26-32)49-42-21-8-6-17-38(42)40-29-30-41-39-18-7-11-24-45(39)51-48(41)47(40)49;2*1-2-14-31(15-3-1)34-22-13-23-35(47(34)50-41-24-8-4-18-36(41)37-19-5-9-25-42(37)50)32-16-12-17-33(30-32)49-43-26-10-6-21-40(43)46-44(49)29-28-39-38-20-7-11-27-45(38)51-48(39)46/h1-35H;3*1-30H.
What are the key properties of 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2694.31 g/mol, XLogP of 54.12, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 157206317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).