10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C50H35N — CID 155304643

IUPAC10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-15-36(16-5-1)38-27-29-39(30-28-38)40-31-33-43(34-32-40)51(44-22-14-21-42(35-44)37-17-6-2-7-18-37)50-48-26-13-11-24-46(48)45-23-10-12-25-47(45)49(50)41-19-8-3-9-20-41/h1-35H
InChIKeyKENKIWRZJWYVJB-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155304643) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound Name10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155304643
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-15-36(16-5-1)38-27-29-39(30-28-38)40-31-33-43(34-32-40)51(44-22-14-21-42(35-44)37-17-6-2-7-18-37)50-48-26-13-11-24-46(48)45-23-10-12-25-47(45)49(50)41-19-8-3-9-20-41/h1-35H
InChIKeyKENKIWRZJWYVJB-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
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,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304286
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
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
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
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine
CID 155304457
N-naphthalen-2-yl-10-phenyl-N-(4-phenylphenyl)phenanthren-9-amine
CID 155304299
N-(3,4-diphenylphenyl)-N,10-diphenylphenanthren-9-amine
CID 155304186
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305426
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155304643) is 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is KENKIWRZJWYVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-15-36(16-5-1)38-27-29-39(30-28-38)40-31-33-43(34-32-40)51(44-22-14-21-42(35-44)37-17-6-2-7-18-37)50-48-26-13-11-24-46(48)45-23-10-12-25-47(45)49(50)41-19-8-3-9-20-41/h1-35H.
What are the key properties of 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).