3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C49H39N — CID 174293975

IUPAC3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCc1cc2c(cc1N(c1ccc(-c3ccccc3-c3ccccc3)cc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)CCCC2
InChIInChI=1S/C49H39N/c1-34-31-38-15-5-6-16-39(38)33-49(34)50(41-27-23-36(24-28-41)44-19-10-9-18-43(44)35-13-3-2-4-14-35)42-29-25-37(26-30-42)48-32-40-17-7-8-20-45(40)46-21-11-12-22-47(46)48/h2-4,7-14,17-33H,5-6,15-16H2,1H3
InChIKeyVNSULSSBGLSPFV-UHFFFAOYSA-N
MW641.86 g/mol
LogP13.65
Rot. Bonds6

About 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine

3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 174293975) has the molecular formula C49H39N and a molecular weight of 641.86 g/mol. Its IUPAC name is 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID174293975
Molecular FormulaC49H39N
Molecular Weight641.86 g/mol
Exact Mass641.31
IUPAC Name3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCc1cc2c(cc1N(c1ccc(-c3ccccc3-c3ccccc3)cc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)CCCC2
InChIInChI=1S/C49H39N/c1-34-31-38-15-5-6-16-39(38)33-49(34)50(41-27-23-36(24-28-41)44-19-10-9-18-43(44)35-13-3-2-4-14-35)42-29-25-37(26-30-42)48-32-40-17-7-8-20-45(40)46-21-11-12-22-47(46)48/h2-4,7-14,17-33H,5-6,15-16H2,1H3
InChIKeyVNSULSSBGLSPFV-UHFFFAOYSA-N
XLogP13.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.86
LogP ≤ 513.65
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-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 174293974
3-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 174293976
2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 174294195
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)aniline
CID 170405702
3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538858
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-phenanthren-9-ylphenyl)-3-phenyl-4-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167264768

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 174293975) is 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine is Cc1cc2c(cc1N(c1ccc(-c3ccccc3-c3ccccc3)cc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)CCCC2.
What is the InChIKey of 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is VNSULSSBGLSPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N/c1-34-31-38-15-5-6-16-39(38)33-49(34)50(41-27-23-36(24-28-41)44-19-10-9-18-43(44)35-13-3-2-4-14-35)42-29-25-37(26-30-42)48-32-40-17-7-8-20-45(40)46-21-11-12-22-47(46)48/h2-4,7-14,17-33H,5-6,15-16H2,1H3.
What are the key properties of 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 641.86 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 174293975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).