N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine

C49H43N — CID 174294103

IUPACN-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
SMILESCc1cc2c(cc1N(c1ccc(-c3cc4ccccc4c4ccccc34)cc1)c1cc3ccccc3c3ccccc13)C(C)(C)CCC2(C)C
InChIInChI=1S/C49H43N/c1-32-28-44-45(49(4,5)27-26-48(44,2)3)31-46(32)50(47-30-35-15-7-9-17-38(35)40-19-12-13-21-42(40)47)36-24-22-33(23-25-36)43-29-34-14-6-8-16-37(34)39-18-10-11-20-41(39)43/h6-25,28-31H,26-27H2,1-5H3
InChIKeyZKHZTQPHMULYAR-UHFFFAOYSA-N
MW645.89 g/mol
LogP14.09
Rot. Bonds4

About N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine

N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine (PubChem CID 174294103) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
PubChem CID174294103
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC NameN-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine
SMILESCc1cc2c(cc1N(c1ccc(-c3cc4ccccc4c4ccccc34)cc1)c1cc3ccccc3c3ccccc13)C(C)(C)CCC2(C)C
InChIInChI=1S/C49H43N/c1-32-28-44-45(49(4,5)27-26-48(44,2)3)31-46(32)50(47-30-35-15-7-9-17-38(35)40-19-12-13-21-42(40)47)36-24-22-33(23-25-36)43-29-34-14-6-8-16-37(34)39-18-10-11-20-41(39)43/h6-25,28-31H,26-27H2,1-5H3
InChIKeyZKHZTQPHMULYAR-UHFFFAOYSA-N
XLogP14.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,5,8,8-pentamethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-6,7-dihydronaphthalen-2-amine
CID 174294093
N-phenanthren-9-yl-N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448552
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
3-methyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 174293975
7,7,10,10-tetramethyl-5-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-(4-phenanthren-9-ylphenyl)-8,9-dihydrobenzo[b]carbazol-5-ium
CID 174294287
N-(4-phenanthren-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenanthren-9-amine
CID 162481325
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
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenylfluoren-2-amine
CID 174287822
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440

Frequently Asked Questions

What is the IUPAC name of N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The IUPAC name of N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine (CID 174294103) is N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine is Cc1cc2c(cc1N(c1ccc(-c3cc4ccccc4c4ccccc34)cc1)c1cc3ccccc3c3ccccc13)C(C)(C)CCC2(C)C.
What is the InChIKey of N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
The InChIKey is ZKHZTQPHMULYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N/c1-32-28-44-45(49(4,5)27-26-48(44,2)3)31-46(32)50(47-30-35-15-7-9-17-38(35)40-19-12-13-21-42(40)47)36-24-22-33(23-25-36)43-29-34-14-6-8-16-37(34)39-18-10-11-20-41(39)43/h6-25,28-31H,26-27H2,1-5H3.
What are the key properties of N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine?
N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine has a molecular weight of 645.89 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine is sourced from PubChem (CID 174294103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).