2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine

C58H46N4 — CID 58501357

IUPAC2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C58H46N4/c1-39-15-23-45(24-16-39)59(46-25-17-40(2)18-26-46)49-31-33-55-51(35-49)53-37-58-54(38-57(53)61(55)43-11-7-5-8-12-43)52-36-50(32-34-56(52)62(58)44-13-9-6-10-14-44)60(47-27-19-41(3)20-28-47)48-29-21-42(4)22-30-48/h5-38H,1-4H3
InChIKeyTUWCTJDBTOWVEL-UHFFFAOYSA-N
MW799.03 g/mol
LogP16.05
Rot. Bonds8

About 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine

2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine (PubChem CID 58501357) has the molecular formula C58H46N4 and a molecular weight of 799.03 g/mol. Its IUPAC name is 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine.

Molecular Properties

Compound Name2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
PubChem CID58501357
Molecular FormulaC58H46N4
Molecular Weight799.03 g/mol
Exact Mass798.37
IUPAC Name2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C58H46N4/c1-39-15-23-45(24-16-39)59(46-25-17-40(2)18-26-46)49-31-33-55-51(35-49)53-37-58-54(38-57(53)61(55)43-11-7-5-8-12-43)52-36-50(32-34-56(52)62(58)44-13-9-6-10-14-44)60(47-27-19-41(3)20-28-47)48-29-21-42(4)22-30-48/h5-38H,1-4H3
InChIKeyTUWCTJDBTOWVEL-UHFFFAOYSA-N
XLogP16.05
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.03
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
6-ethenyl-N-[4-(4-methylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166763972
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine?
The IUPAC name of 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine (CID 58501357) is 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine.
What is the SMILES notation for 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine?
The canonical SMILES for 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine?
The InChIKey is TUWCTJDBTOWVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N4/c1-39-15-23-45(24-16-39)59(46-25-17-40(2)18-26-46)49-31-33-55-51(35-49)53-37-58-54(38-57(53)61(55)43-11-7-5-8-12-43)52-36-50(32-34-56(52)62(58)44-13-9-6-10-14-44)60(47-27-19-41(3)20-28-47)48-29-21-42(4)22-30-48/h5-38H,1-4H3.
What are the key properties of 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine?
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine has a molecular weight of 799.03 g/mol, XLogP of 16.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine is sourced from PubChem (CID 58501357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).