2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

C37H31N — CID 174294195

IUPAC2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1ccc2c(c1N(c1ccccc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)CCCC2
InChIInChI=1S/C37H31N/c1-26-19-20-27-11-5-8-16-33(27)37(26)38(30-13-3-2-4-14-30)31-23-21-28(22-24-31)36-25-29-12-6-7-15-32(29)34-17-9-10-18-35(34)36/h2-4,6-7,9-10,12-15,17-25H,5,8,11,16H2,1H3
InChIKeyCZQQWTJOCKCAQK-UHFFFAOYSA-N
MW489.66 g/mol
LogP10.32
Rot. Bonds4

About 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 174294195) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID174294195
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1ccc2c(c1N(c1ccccc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)CCCC2
InChIInChI=1S/C37H31N/c1-26-19-20-27-11-5-8-16-33(27)37(26)38(30-13-3-2-4-14-30)31-23-21-28(22-24-31)36-25-29-12-6-7-15-32(29)34-17-9-10-18-35(34)36/h2-4,6-7,9-10,12-15,17-25H,5,8,11,16H2,1H3
InChIKeyCZQQWTJOCKCAQK-UHFFFAOYSA-N
XLogP10.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 510.32
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-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 174293975
3-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 174293976
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447865
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)aniline
CID 170405702
N-(3-phenanthren-9-ylphenyl)-2,6-diphenyl-N-(4-phenylphenyl)aniline
CID 177079964
N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
CID 155304063
3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
3-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 142614449
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 174294195) is 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1ccc2c(c1N(c1ccccc1)c1ccc(-c3cc4ccccc4c4ccccc34)cc1)CCCC2.
What is the InChIKey of 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is CZQQWTJOCKCAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N/c1-26-19-20-27-11-5-8-16-33(27)37(26)38(30-13-3-2-4-14-30)31-23-21-28(22-24-31)36-25-29-12-6-7-15-32(29)34-17-9-10-18-35(34)36/h2-4,6-7,9-10,12-15,17-25H,5,8,11,16H2,1H3.
What are the key properties of 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine?
2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 489.66 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenanthren-9-ylphenyl)-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 174294195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).