N,N-bis(4-tert-butylphenyl)phenanthren-9-amine

C34H35N — CID 177481694

IUPACN,N-bis(4-tert-butylphenyl)phenanthren-9-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C34H35N/c1-33(2,3)25-15-19-27(20-16-25)35(28-21-17-26(18-22-28)34(4,5)6)32-23-24-11-7-8-12-29(24)30-13-9-10-14-31(30)32/h7-23H,1-6H3
InChIKeyLSWLOADATSJQRD-UHFFFAOYSA-N
MW457.66 g/mol
LogP10.06
Rot. Bonds3

About N,N-bis(4-tert-butylphenyl)phenanthren-9-amine

N,N-bis(4-tert-butylphenyl)phenanthren-9-amine (PubChem CID 177481694) has the molecular formula C34H35N and a molecular weight of 457.66 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)phenanthren-9-amine
PubChem CID177481694
Molecular FormulaC34H35N
Molecular Weight457.66 g/mol
Exact Mass457.28
IUPAC NameN,N-bis(4-tert-butylphenyl)phenanthren-9-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C34H35N/c1-33(2,3)25-15-19-27(20-16-25)35(28-21-17-26(18-22-28)34(4,5)6)32-23-24-11-7-8-12-29(24)30-13-9-10-14-31(30)32/h7-23H,1-6H3
InChIKeyLSWLOADATSJQRD-UHFFFAOYSA-N
XLogP10.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 510.06
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-[4-[(E)-2-[4-[4-(4-tert-butyl-N-phenanthren-9-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)phenanthren-9-amine
CID 89067797
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
12-N-(4-tert-butylphenyl)-6-N-(4-ethylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine
CID 90869700
7-tert-butyl-N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine
CID 129118404
1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)pyrene-1,3-diamine
CID 146497193
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
1-N,1-N,3-N,3-N,6-N,6-N,8-N,8-N-octakis(4-tert-butylphenyl)pyrene-1,3,6,8-tetramine
CID 167403972
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
3-N,6-N-bis(4-tert-butylphenyl)-3-N,6-N-diphenylbenzo[e]pyrene-3,6-diamine
CID 118581671
N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142730125

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)phenanthren-9-amine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)phenanthren-9-amine (CID 177481694) is N,N-bis(4-tert-butylphenyl)phenanthren-9-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)phenanthren-9-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)phenanthren-9-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)phenanthren-9-amine?
The InChIKey is LSWLOADATSJQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N/c1-33(2,3)25-15-19-27(20-16-25)35(28-21-17-26(18-22-28)34(4,5)6)32-23-24-11-7-8-12-29(24)30-13-9-10-14-31(30)32/h7-23H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)phenanthren-9-amine?
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine has a molecular weight of 457.66 g/mol, XLogP of 10.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)phenanthren-9-amine is sourced from PubChem (CID 177481694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).