N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline

C54H37N — CID 140943835

IUPACN-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6cccc(-c7ccccc7)c56)c4)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H37N/c1-4-18-38(19-5-1)46-34-16-22-39-23-17-35-47(52(39)46)41-24-14-28-44(36-41)55(43-26-8-3-9-27-43)45-29-15-25-42(37-45)54-51-33-13-11-31-49(51)48-30-10-12-32-50(48)53(54)40-20-6-2-7-21-40/h1-37H
InChIKeyBCJKRWQKTWHXCK-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline

N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline (PubChem CID 140943835) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
PubChem CID140943835
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
SMILESc1ccc(-c2c(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6cccc(-c7ccccc7)c56)c4)c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H37N/c1-4-18-38(19-5-1)46-34-16-22-39-23-17-35-47(52(39)46)41-24-14-28-44(36-41)55(43-26-8-3-9-27-43)45-29-15-25-42(37-45)54-51-33-13-11-31-49(51)48-30-10-12-32-50(48)53(54)40-20-6-2-7-21-40/h1-37H
InChIKeyBCJKRWQKTWHXCK-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

3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535413
N-[4-(8-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 176587587

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline?
The IUPAC name of N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline (CID 140943835) is N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline is c1ccc(-c2c(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6cccc(-c7ccccc7)c56)c4)c3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline?
The InChIKey is BCJKRWQKTWHXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-4-18-38(19-5-1)46-34-16-22-39-23-17-35-47(52(39)46)41-24-14-28-44(36-41)55(43-26-8-3-9-27-43)45-29-15-25-42(37-45)54-51-33-13-11-31-49(51)48-30-10-12-32-50(48)53(54)40-20-6-2-7-21-40/h1-37H.
What are the key properties of N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline?
N-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline 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-phenyl-3-(8-phenylnaphthalen-1-yl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline is sourced from PubChem (CID 140943835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).