4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline

C39H29N — CID 118122906

IUPAC4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C39H29N/c1-28-11-21-35(22-12-28)40(36-23-17-30(18-24-36)29-7-3-2-4-8-29)37-25-19-31(20-26-37)34-16-15-33-14-13-32-9-5-6-10-38(32)39(33)27-34/h2-27H,1H3
InChIKeyIORCFBPRCLBNPG-UHFFFAOYSA-N
MW511.67 g/mol
LogP11.11
Rot. Bonds5

About 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline

4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 118122906) has the molecular formula C39H29N and a molecular weight of 511.67 g/mol. Its IUPAC name is 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID118122906
Molecular FormulaC39H29N
Molecular Weight511.67 g/mol
Exact Mass511.23
IUPAC Name4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C39H29N/c1-28-11-21-35(22-12-28)40(36-23-17-30(18-24-36)29-7-3-2-4-8-29)37-25-19-31(20-26-37)34-16-15-33-14-13-32-9-5-6-10-38(32)39(33)27-34/h2-27H,1H3
InChIKeyIORCFBPRCLBNPG-UHFFFAOYSA-N
XLogP11.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 511.11
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-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline (CID 118122906) is 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is IORCFBPRCLBNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N/c1-28-11-21-35(22-12-28)40(36-23-17-30(18-24-36)29-7-3-2-4-8-29)37-25-19-31(20-26-37)34-16-15-33-14-13-32-9-5-6-10-38(32)39(33)27-34/h2-27H,1H3.
What are the key properties of 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline?
4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 511.67 g/mol, XLogP of 11.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118122906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).