12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole

C166H100N10O7S — CID 159882060

IUPAC12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ncsc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc3ncoc23)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc32)cc1
InChIInChI=1S/C42H27NO.C31H19N3O.2C31H18N2O2.C31H18N2OS/c1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-23-24-38-36-16-8-10-18-40(36)44-42(38)41(37)43;1-2-8-20(9-3-1)33-19-32-26-18-21(14-17-28(26)33)34-27-12-6-4-10-22(27)24-15-16-25-23-11-5-7-13-29(23)35-31(25)30(24)34;1-2-8-19(9-3-1)25-16-20(17-26-30(25)34-18-32-26)33-27-12-6-4-10-21(27)23-14-15-24-22-11-5-7-13-28(22)35-31(24)29(23)33;1-2-8-19(9-3-1)20-16-26(29-28(17-20)34-18-32-29)33-25-12-6-4-10-21(25)23-14-15-24-22-11-5-7-13-27(22)35-31(24)30(23)33;1-2-8-19(9-3-1)20-16-26(29-28(17-20)35-18-32-29)33-25-12-6-4-10-21(25)23-14-15-24-22-11-5-7-13-27(22)34-31(24)30(23)33/h1-27H;1-19H;3*1-18H
InChIKeyNTQMIYISBIRYGS-UHFFFAOYSA-N
MW2378.76 g/mol
LogP45.65
Rot. Bonds12

About 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole

12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 159882060) has the molecular formula C166H100N10O7S and a molecular weight of 2378.76 g/mol. Its IUPAC name is 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID159882060
Molecular FormulaC166H100N10O7S
Molecular Weight2378.76 g/mol
Exact Mass2376.75
IUPAC Name12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ncsc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc3ncoc23)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc32)cc1
InChIInChI=1S/C42H27NO.C31H19N3O.2C31H18N2O2.C31H18N2OS/c1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-23-24-38-36-16-8-10-18-40(36)44-42(38)41(37)43;1-2-8-20(9-3-1)33-19-32-26-18-21(14-17-28(26)33)34-27-12-6-4-10-22(27)24-15-16-25-23-11-5-7-13-29(23)35-31(25)30(24)34;1-2-8-19(9-3-1)25-16-20(17-26-30(25)34-18-32-26)33-27-12-6-4-10-21(27)23-14-15-24-22-11-5-7-13-28(22)35-31(24)29(23)33;1-2-8-19(9-3-1)20-16-26(29-28(17-20)34-18-32-29)33-25-12-6-4-10-21(25)23-14-15-24-22-11-5-7-13-27(22)35-31(24)30(23)33;1-2-8-19(9-3-1)20-16-26(29-28(17-20)35-18-32-29)33-25-12-6-4-10-21(25)23-14-15-24-22-11-5-7-13-27(22)34-31(24)30(23)33/h1-27H;1-19H;3*1-18H
InChIKeyNTQMIYISBIRYGS-UHFFFAOYSA-N
XLogP45.65
TPSA173.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.76
LogP ≤ 545.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[3-[[2-([1]Benzothiolo[3,2-b]carbazol-11-yl)benzimidazol-1-yl]methyl]-10-[11-(1-methylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazol-4-yl]-[1]benzothiolo[3,2-b]carbazol-11-yl]-1,3-benzoxazole
CID 130369536
6-Phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369559
6-Phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole
CID 130369639
5-[2-[2-[12-(1,3-Benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-12-(1-methylbenzimidazol-5-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369696
4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-[12-[2-(12-isoquinolin-5-yl-[1]benzothiolo[2,3-a]carbazol-9-yl)-1-methylbenzimidazol-4-yl]-[1]benzothiolo[2,3-a]carbazol-9-yl]-1,3-benzoxazole
CID 130369698
23-(4-Phenylquinazolin-2-yl)-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
CID 134361410
23-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
CID 134361602
23-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
CID 139310799
2-[7-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(2,3-dihydroindol-1-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 141026524
3-[3-[5-([1]Benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 146407209
4-[5-[4-[4-[3-[3-[5-([1]Benzothiolo[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzothiazol-6-yl]phenyl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-6-phenyl-1,3-benzoxazole
CID 146407213

Frequently Asked Questions

What is the IUPAC name of 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole (CID 159882060) is 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3ncsc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc3ncoc23)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc32)cc1.
What is the InChIKey of 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is NTQMIYISBIRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO.C31H19N3O.2C31H18N2O2.C31H18N2OS/c1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-23-24-38-36-16-8-10-18-40(36)44-42(38)41(37)43;1-2-8-20(9-3-1)33-19-32-26-18-21(14-17-28(26)33)34-27-12-6-4-10-22(27)24-15-16-25-23-11-5-7-13-29(23)35-31(25)30(24)34;1-2-8-19(9-3-1)25-16-20(17-26-30(25)34-18-32-26)33-27-12-6-4-10-21(27)23-14-15-24-22-11-5-7-13-28(22)35-31(24)29(23)33;1-2-8-19(9-3-1)20-16-26(29-28(17-20)34-18-32-29)33-25-12-6-4-10-21(25)23-14-15-24-22-11-5-7-13-27(22)35-31(24)30(23)33;1-2-8-19(9-3-1)20-16-26(29-28(17-20)35-18-32-29)33-25-12-6-4-10-21(25)23-14-15-24-22-11-5-7-13-27(22)34-31(24)30(23)33/h1-27H;1-19H;3*1-18H.
What are the key properties of 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 2378.76 g/mol, XLogP of 45.65, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-(1-phenylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazole;12-(7-phenyl-1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 159882060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).