N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine

C62H40N2 — CID 166660133

IUPACN-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-n2c3cc4ccccc4cc3c3c(-c4cccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc6c(ccc7ccccc76)c5)c4)cccc32)cc1
InChIInChI=1S/C62H40N2/c1-2-17-50(18-3-1)64-60-23-11-22-58(62(60)59-39-44-14-4-5-15-45(44)40-61(59)64)47-16-10-19-52(37-47)63(53-33-35-57-49(38-53)27-25-43-13-7-9-21-55(43)57)51-31-28-41(29-32-51)46-30-34-56-48(36-46)26-24-42-12-6-8-20-54(42)56/h1-40H
InChIKeyHHRKDOSYLFNZJW-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.35
Rot. Bonds6

About N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine

N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine (PubChem CID 166660133) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
PubChem CID166660133
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-n2c3cc4ccccc4cc3c3c(-c4cccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc6c(ccc7ccccc76)c5)c4)cccc32)cc1
InChIInChI=1S/C62H40N2/c1-2-17-50(18-3-1)64-60-23-11-22-58(62(60)59-39-44-14-4-5-15-45(44)40-61(59)64)47-16-10-19-52(37-47)63(53-33-35-57-49(38-53)27-25-43-13-7-9-21-55(43)57)51-31-28-41(29-32-51)46-30-34-56-48(36-46)26-24-42-12-6-8-20-54(42)56/h1-40H
InChIKeyHHRKDOSYLFNZJW-UHFFFAOYSA-N
XLogP17.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.35
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-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
N-(4-phenanthren-9-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 166659742
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine (CID 166660133) is N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine is c1ccc(-n2c3cc4ccccc4cc3c3c(-c4cccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc6c(ccc7ccccc76)c5)c4)cccc32)cc1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine?
The InChIKey is HHRKDOSYLFNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-2-17-50(18-3-1)64-60-23-11-22-58(62(60)59-39-44-14-4-5-15-45(44)40-61(59)64)47-16-10-19-52(37-47)63(53-33-35-57-49(38-53)27-25-43-13-7-9-21-55(43)57)51-31-28-41(29-32-51)46-30-34-56-48(36-46)26-24-42-12-6-8-20-54(42)56/h1-40H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine?
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine has a molecular weight of 813.02 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 166660133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).