N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine

C52H34N2 — CID 168810061

IUPACN-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C52H34N2/c1-2-15-39(16-3-1)54-49-23-11-10-21-47(49)52-44(22-12-24-50(52)54)36-27-30-40(31-28-36)53(41-32-29-37-26-25-35-13-4-6-17-42(35)48(37)34-41)51-33-38-14-5-7-18-43(38)45-19-8-9-20-46(45)51/h1-34H
InChIKeySFNJAAXMQXXIDF-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.53
Rot. Bonds5

About N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine

N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine (PubChem CID 168810061) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
PubChem CID168810061
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC NameN-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C52H34N2/c1-2-15-39(16-3-1)54-49-23-11-10-21-47(49)52-44(22-12-24-50(52)54)36-27-30-40(31-28-36)53(41-32-29-37-26-25-35-13-4-6-17-42(35)48(37)34-41)51-33-38-14-5-7-18-43(38)45-19-8-9-20-46(45)51/h1-34H
InChIKeySFNJAAXMQXXIDF-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.53
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-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 168809842
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-9-amine
CID 166660529
N,N-bis(4-phenanthren-9-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195296
N-(9,9-dimethylfluoren-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 121358497
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 166660024
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065016
N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine
CID 167196235
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine?
The IUPAC name of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine (CID 168810061) is N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5cc6ccccc6c6ccccc56)cc4)cccc32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine?
The InChIKey is SFNJAAXMQXXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-2-15-39(16-3-1)54-49-23-11-10-21-47(49)52-44(22-12-24-50(52)54)36-27-30-40(31-28-36)53(41-32-29-37-26-25-35-13-4-6-17-42(35)48(37)34-41)51-33-38-14-5-7-18-43(38)45-19-8-9-20-46(45)51/h1-34H.
What are the key properties of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine?
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine has a molecular weight of 686.86 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 168810061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).