2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole

C60H46N4 — CID 90195030

IUPAC2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(-n3c5ccc(C)cc5c5c3ccc3c6cc(C)ccc6n(-c6ccc(C)cc6)c35)ccc2n4-c2ccc(C)cc2)cc1
InChIInChI=1S/C60H46N4/c1-35-7-16-41(17-8-35)61-52-24-13-39(5)30-47(52)49-33-58-50(34-57(49)61)48-32-44(22-27-53(48)62(58)42-18-9-36(2)10-19-42)63-55-26-15-40(6)31-51(55)59-56(63)28-23-45-46-29-38(4)14-25-54(46)64(60(45)59)43-20-11-37(3)12-21-43/h7-34H,1-6H3
InChIKeyYNAMCTHQYWZTGT-UHFFFAOYSA-N
MW823.06 g/mol
LogP15.93
Rot. Bonds4

About 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole

2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole (PubChem CID 90195030) has the molecular formula C60H46N4 and a molecular weight of 823.06 g/mol. Its IUPAC name is 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
PubChem CID90195030
Molecular FormulaC60H46N4
Molecular Weight823.06 g/mol
Exact Mass822.37
IUPAC Name2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
SMILESCc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(-n3c5ccc(C)cc5c5c3ccc3c6cc(C)ccc6n(-c6ccc(C)cc6)c35)ccc2n4-c2ccc(C)cc2)cc1
InChIInChI=1S/C60H46N4/c1-35-7-16-41(17-8-35)61-52-24-13-39(5)30-47(52)49-33-58-50(34-57(49)61)48-32-44(22-27-53(48)62(58)42-18-9-36(2)10-19-42)63-55-26-15-40(6)31-51(55)59-56(63)28-23-45-46-29-38(4)14-25-54(46)64(60(45)59)43-20-11-37(3)12-21-43/h7-34H,1-6H3
InChIKeyYNAMCTHQYWZTGT-UHFFFAOYSA-N
XLogP15.93
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.06
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 144930867
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
CID 159994070
7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598134
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-dimethyl-5-phenylindolo[3,2-c]carbazole
CID 142315008
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole (CID 90195030) is 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole is Cc1ccc(-n2c3ccc(C)cc3c3cc4c(cc32)c2cc(-n3c5ccc(C)cc5c5c3ccc3c6cc(C)ccc6n(-c6ccc(C)cc6)c35)ccc2n4-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
The InChIKey is YNAMCTHQYWZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4/c1-35-7-16-41(17-8-35)61-52-24-13-39(5)30-47(52)49-33-58-50(34-57(49)61)48-32-44(22-27-53(48)62(58)42-18-9-36(2)10-19-42)63-55-26-15-40(6)31-51(55)59-56(63)28-23-45-46-29-38(4)14-25-54(46)64(60(45)59)43-20-11-37(3)12-21-43/h7-34H,1-6H3.
What are the key properties of 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole?
2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole has a molecular weight of 823.06 g/mol, XLogP of 15.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 90195030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).