7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

C76H54N4 — CID 126651547

IUPAC7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
SMILESCN(c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccccc3)cc2)cc1)c1cccc(Cn2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C76H54N4/c1-77(62-36-28-57(29-37-62)61-35-43-73-69(48-61)70-47-59-22-11-12-23-60(59)49-75(70)80(73)65-40-32-56(33-41-65)54-19-7-3-8-20-54)66-26-15-16-52(46-66)51-78-72-45-42-67(50-71(72)76-68-27-14-13-21-58(68)34-44-74(76)78)79(63-24-9-4-10-25-63)64-38-30-55(31-39-64)53-17-5-2-6-18-53/h2-50H,51H2,1H3
InChIKeyDDEVBFWEDJAHFS-UHFFFAOYSA-N
MW1023.30 g/mol
LogP20.49
Rot. Bonds11

About 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine (PubChem CID 126651547) has the molecular formula C76H54N4 and a molecular weight of 1023.30 g/mol. Its IUPAC name is 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine.

Molecular Properties

Compound Name7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
PubChem CID126651547
Molecular FormulaC76H54N4
Molecular Weight1023.30 g/mol
Exact Mass1022.43
IUPAC Name7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
SMILESCN(c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccccc3)cc2)cc1)c1cccc(Cn2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C76H54N4/c1-77(62-36-28-57(29-37-62)61-35-43-73-69(48-61)70-47-59-22-11-12-23-60(59)49-75(70)80(73)65-40-32-56(33-41-65)54-19-7-3-8-20-54)66-26-15-16-52(46-66)51-78-72-45-42-67(50-71(72)76-68-27-14-13-21-58(68)34-44-74(76)78)79(63-24-9-4-10-25-63)64-38-30-55(31-39-64)53-17-5-2-6-18-53/h2-50H,51H2,1H3
InChIKeyDDEVBFWEDJAHFS-UHFFFAOYSA-N
XLogP20.49
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.30
LogP ≤ 520.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine with MolForge

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Related Compounds

7-[[3-[N-methyl-4-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]anilino]phenyl]methyl]-N-phenyl-N-(3-phenylphenyl)benzo[c]carbazol-10-amine
CID 126651817
N-[4-[4-(9-methylcarbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-3-amine;N-methyl-N-phenyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-3-yl]aniline;N-methyl-N-phenyl-7-(4-phenylphenyl)benzo[g]carbazol-9-amine;N-methyl-N-phenyl-4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]aniline;N-methyl-N-phenyl-4-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline
CID 158706804
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
CID 126631336
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
CID 126631328
N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
CID 126632612
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163536806

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The IUPAC name of 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine (CID 126651547) is 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine.
What is the SMILES notation for 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The canonical SMILES for 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine is CN(c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2ccc(-c3ccccc3)cc2)cc1)c1cccc(Cn2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The InChIKey is DDEVBFWEDJAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N4/c1-77(62-36-28-57(29-37-62)61-35-43-73-69(48-61)70-47-59-22-11-12-23-60(59)49-75(70)80(73)65-40-32-56(33-41-65)54-19-7-3-8-20-54)66-26-15-16-52(46-66)51-78-72-45-42-67(50-71(72)76-68-27-14-13-21-58(68)34-44-74(76)78)79(63-24-9-4-10-25-63)64-38-30-55(31-39-64)53-17-5-2-6-18-53/h2-50H,51H2,1H3.
What are the key properties of 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine has a molecular weight of 1023.30 g/mol, XLogP of 20.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine is sourced from PubChem (CID 126651547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).