N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine

C60H42N2 — CID 167196150

IUPACN-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESC1=CC2c3c(cc4ccccc4c3-c3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)c3)N(c3ccccc3)C2C=C1
InChIInChI=1S/C60H42N2/c1-3-18-41(19-4-1)49-26-11-12-27-50(49)42-34-36-47(37-35-42)61(57-39-43-20-7-9-28-51(43)53-30-13-14-31-54(53)57)48-25-17-22-45(38-48)59-52-29-10-8-21-44(52)40-58-60(59)55-32-15-16-33-56(55)62(58)46-23-5-2-6-24-46/h1-40,55-56H
InChIKeyNZQPTCNTDCRWPH-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.35
Rot. Bonds7

About N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine

N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 167196150) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID167196150
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESC1=CC2c3c(cc4ccccc4c3-c3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)c3)N(c3ccccc3)C2C=C1
InChIInChI=1S/C60H42N2/c1-3-18-41(19-4-1)49-26-11-12-27-50(49)42-34-36-47(37-35-42)61(57-39-43-20-7-9-28-51(43)53-30-13-14-31-54(53)57)48-25-17-22-45(38-48)59-52-29-10-8-21-44(52)40-58-60(59)55-32-15-16-33-56(55)62(58)46-23-5-2-6-24-46/h1-40,55-56H
InChIKeyNZQPTCNTDCRWPH-UHFFFAOYSA-N
XLogP16.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(11-phenyl-6a,11a-dihydrobenzo[a]carbazol-7-yl)phenyl]phenanthren-9-amine
CID 167195520
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 163910164
N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]naphthalen-1-yl]-9-phenyl-4b,8a-dihydrocarbazol-3-amine
CID 70918178
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-9-amine
CID 166660529
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851
N-(4-phenanthren-9-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]naphthalen-1-amine
CID 167195888
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 170526212
N-(4-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (CID 167196150) is N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is C1=CC2c3c(cc4ccccc4c3-c3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)c3)N(c3ccccc3)C2C=C1.
What is the InChIKey of N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is NZQPTCNTDCRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-3-18-41(19-4-1)49-26-11-12-27-50(49)42-34-36-47(37-35-42)61(57-39-43-20-7-9-28-51(43)53-30-13-14-31-54(53)57)48-25-17-22-45(38-48)59-52-29-10-8-21-44(52)40-58-60(59)55-32-15-16-33-56(55)62(58)46-23-5-2-6-24-46/h1-40,55-56H.
What are the key properties of N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 791.01 g/mol, XLogP of 16.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenyl-4a,11b-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 167196150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).