N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine

C54H37N — CID 155303461

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-4-17-40(18-5-1)47-35-32-43(37-52(47)41-19-6-2-7-20-41)39-30-33-46(34-31-39)55(45-22-8-3-9-23-45)54-51-27-15-13-25-49(51)48-24-12-14-26-50(48)53(54)44-29-28-38-16-10-11-21-42(38)36-44/h1-37H
InChIKeyMRMMDBXVQAOKGX-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine

N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine (PubChem CID 155303461) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
PubChem CID155303461
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-4-17-40(18-5-1)47-35-32-43(37-52(47)41-19-6-2-7-20-41)39-30-33-46(34-31-39)55(45-22-8-3-9-23-45)54-51-27-15-13-25-49(51)48-24-12-14-26-50(48)53(54)44-29-28-38-16-10-11-21-42(38)36-44/h1-37H
InChIKeyMRMMDBXVQAOKGX-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N-phenyl-10-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 155305531
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
CID 155304186
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
CID 89178016
10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304543
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine (CID 155303461) is N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccc6ccccc6c5)c5ccccc5c5ccccc45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
The InChIKey is MRMMDBXVQAOKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-4-17-40(18-5-1)47-35-32-43(37-52(47)41-19-6-2-7-20-41)39-30-33-46(34-31-39)55(45-22-8-3-9-23-45)54-51-27-15-13-25-49(51)48-24-12-14-26-50(48)53(54)44-29-28-38-16-10-11-21-42(38)36-44/h1-37H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine is sourced from PubChem (CID 155303461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).