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

C82H58N4 — CID 126651817

IUPAC7-[[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
SMILESCN(c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3cccc(-c4ccccc4)c3)cc2)cc1)c1cccc(Cn2c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C82H58N4/c1-83(68-42-38-60(39-43-68)59-34-36-61(37-35-59)67-41-45-79-75(52-67)76-51-65-24-11-12-25-66(65)53-81(76)86(79)72-32-17-27-64(50-72)58-21-7-3-8-22-58)70-30-15-18-56(48-70)55-84-78-47-44-73(54-77(78)82-74-33-14-13-23-62(74)40-46-80(82)84)85(69-28-9-4-10-29-69)71-31-16-26-63(49-71)57-19-5-2-6-20-57/h2-54H,55H2,1H3
InChIKeyULYZIDYSKOFVSJ-UHFFFAOYSA-N
MW1099.39 g/mol
LogP22.15
Rot. Bonds12

About 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

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 (PubChem CID 126651817) has the molecular formula C82H58N4 and a molecular weight of 1099.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID126651817
Molecular FormulaC82H58N4
Molecular Weight1099.39 g/mol
Exact Mass1098.47
IUPAC Name7-[[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
SMILESCN(c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3cccc(-c4ccccc4)c3)cc2)cc1)c1cccc(Cn2c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3c3c4ccccc4ccc32)c1
InChIInChI=1S/C82H58N4/c1-83(68-42-38-60(39-43-68)59-34-36-61(37-35-59)67-41-45-79-75(52-67)76-51-65-24-11-12-25-66(65)53-81(76)86(79)72-32-17-27-64(50-72)58-21-7-3-8-22-58)70-30-15-18-56(48-70)55-84-78-47-44-73(54-77(78)82-74-33-14-13-23-62(74)40-46-80(82)84)85(69-28-9-4-10-29-69)71-31-16-26-63(49-71)57-19-5-2-6-20-57/h2-54H,55H2,1H3
InChIKeyULYZIDYSKOFVSJ-UHFFFAOYSA-N
XLogP22.15
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.39
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
CID 126631336
N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
CID 126631328
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098
N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
CID 126632612
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-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3cccc(-c4ccccc4)c3)cc2)cc1)c1cccc(Cn2c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3c3c4ccccc4ccc32)c1.
What is the InChIKey of 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?
The InChIKey is ULYZIDYSKOFVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N4/c1-83(68-42-38-60(39-43-68)59-34-36-61(37-35-59)67-41-45-79-75(52-67)76-51-65-24-11-12-25-66(65)53-81(76)86(79)72-32-17-27-64(50-72)58-21-7-3-8-22-58)70-30-15-18-56(48-70)55-84-78-47-44-73(54-77(78)82-74-33-14-13-23-62(74)40-46-80(82)84)85(69-28-9-4-10-29-69)71-31-16-26-63(49-71)57-19-5-2-6-20-57/h2-54H,55H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1099.39 g/mol, XLogP of 22.15, 12 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-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]anilino]phenyl]methyl]-N-phenyl-N-(3-phenylphenyl)benzo[c]carbazol-10-amine is sourced from PubChem (CID 126651817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).