N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine

C42H29N — CID 167181851

IUPACN-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-9-30(10-4-1)31-15-17-32(18-16-31)33-23-25-38(26-24-33)43(37-12-5-2-6-13-37)39-27-28-41-36(29-39)22-21-35-20-19-34-11-7-8-14-40(34)42(35)41/h1-29H
InChIKeyLOOYYADUPTWCQC-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.95
Rot. Bonds5

About N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine

N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine (PubChem CID 167181851) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
PubChem CID167181851
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cc2)cc1
InChIInChI=1S/C42H29N/c1-3-9-30(10-4-1)31-15-17-32(18-16-31)33-23-25-38(26-24-33)43(37-12-5-2-6-13-37)39-27-28-41-36(29-39)22-21-35-20-19-34-11-7-8-14-40(34)42(35)41/h1-29H
InChIKeyLOOYYADUPTWCQC-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.95
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-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167183091
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
2-N-naphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-phenylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N,7-N-diphenylphenanthrene-2,7-diamine
CID 59754883
2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754912
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 59754864
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine?
The IUPAC name of N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine (CID 167181851) is N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine?
The canonical SMILES for N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccc7ccccc7c65)c4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine?
The InChIKey is LOOYYADUPTWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-3-9-30(10-4-1)31-15-17-32(18-16-31)33-23-25-38(26-24-33)43(37-12-5-2-6-13-37)39-27-28-41-36(29-39)22-21-35-20-19-34-11-7-8-14-40(34)42(35)41/h1-29H.
What are the key properties of N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine?
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine has a molecular weight of 547.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine is sourced from PubChem (CID 167181851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).