3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole

C114H73N7S — CID 161384804

IUPAC3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12
InChIInChI=1S/C42H27N3.C36H22N2S.C36H24N2/c1-2-12-28(13-3-1)43-39-20-10-6-16-33(39)35-27-30(22-24-41(35)43)45-40-21-11-7-17-34(40)36-26-29(23-25-42(36)45)44-37-18-8-4-14-31(37)32-15-5-9-19-38(32)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-27H;1-22H;1-24H
InChIKeyVSERMJUWEGLKRT-UHFFFAOYSA-N
MW1572.95 g/mol
LogP30.77
Rot. Bonds8

About 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole

3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole (PubChem CID 161384804) has the molecular formula C114H73N7S and a molecular weight of 1572.95 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
PubChem CID161384804
Molecular FormulaC114H73N7S
Molecular Weight1572.95 g/mol
Exact Mass1571.56
IUPAC Name3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12
InChIInChI=1S/C42H27N3.C36H22N2S.C36H24N2/c1-2-12-28(13-3-1)43-39-20-10-6-16-33(39)35-27-30(22-24-41(35)43)45-40-21-11-7-17-34(40)36-26-29(23-25-42(36)45)44-37-18-8-4-14-31(37)32-15-5-9-19-38(32)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-27H;1-22H;1-24H
InChIKeyVSERMJUWEGLKRT-UHFFFAOYSA-N
XLogP30.77
TPSA34.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001572.95
LogP ≤ 530.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole (CID 161384804) is 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1.c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc12.
What is the InChIKey of 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole?
The InChIKey is VSERMJUWEGLKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3.C36H22N2S.C36H24N2/c1-2-12-28(13-3-1)43-39-20-10-6-16-33(39)35-27-30(22-24-41(35)43)45-40-21-11-7-17-34(40)36-26-29(23-25-42(36)45)44-37-18-8-4-14-31(37)32-15-5-9-19-38(32)44;1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-34-29(21-23)27-11-3-7-15-33(27)38(34)24-18-20-36-30(22-24)28-12-4-8-16-35(28)39-36;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-35-20-9-6-17-31(35)32-24-28(21-22-36(32)37)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38/h1-27H;1-22H;1-24H.
What are the key properties of 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole?
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole has a molecular weight of 1572.95 g/mol, XLogP of 30.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 161384804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).