9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine

C56H42N2 — CID 126548272

IUPAC9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine
SMILESCC1(C)Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3)ccc2-c2ccccc21
InChIInChI=1S/C56H42N2/c1-56(2)37-43-35-47(31-32-48(43)50-19-11-12-20-52(50)56)57(45-27-21-39(22-28-45)38-13-5-3-6-14-38)46-29-23-40(24-30-46)42-26-33-53-51(36-42)55-49-18-10-9-15-41(49)25-34-54(55)58(53)44-16-7-4-8-17-44/h3-36H,37H2,1-2H3
InChIKeyLIBQWFUIYLVRAR-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.24
Rot. Bonds6

About 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine

9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine (PubChem CID 126548272) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine
PubChem CID126548272
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine
SMILESCC1(C)Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3)ccc2-c2ccccc21
InChIInChI=1S/C56H42N2/c1-56(2)37-43-35-47(31-32-48(43)50-19-11-12-20-52(50)56)57(45-27-21-39(22-28-45)38-13-5-3-6-14-38)46-29-23-40(24-30-46)42-26-33-53-51(36-42)55-49-18-10-9-15-41(49)25-34-54(55)58(53)44-16-7-4-8-17-44/h3-36H,37H2,1-2H3
InChIKeyLIBQWFUIYLVRAR-UHFFFAOYSA-N
XLogP15.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
9,9-diphenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118282644
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
CID 70853892
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 118282673
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 146211458

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine (CID 126548272) is 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine is CC1(C)Cc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4ccccc4)cc3)ccc2-c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine?
The InChIKey is LIBQWFUIYLVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-56(2)37-43-35-47(31-32-48(43)50-19-11-12-20-52(50)56)57(45-27-21-39(22-28-45)38-13-5-3-6-14-38)46-29-23-40(24-30-46)42-26-33-53-51(36-42)55-49-18-10-9-15-41(49)25-34-54(55)58(53)44-16-7-4-8-17-44/h3-36H,37H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine?
9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine has a molecular weight of 742.97 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)-10H-phenanthren-2-amine is sourced from PubChem (CID 126548272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).