N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine

C66H45N — CID 169062955

IUPACN-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc21
InChIInChI=1S/C66H45N/c1-66(48-23-9-4-10-24-48)62-31-16-15-27-58(62)59-41-38-51(43-63(59)66)67(49-35-32-45(33-36-49)53-29-17-30-54-52-25-12-11-18-44(52)34-39-56(53)54)50-37-40-57-55-26-13-14-28-60(55)64(46-19-5-2-6-20-46)65(61(57)42-50)47-21-7-3-8-22-47/h2-43H,1H3
InChIKeyABCGUCLVHXGDSB-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.10
Rot. Bonds7

About N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine

N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169062955) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169062955
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc21
InChIInChI=1S/C66H45N/c1-66(48-23-9-4-10-24-48)62-31-16-15-27-58(62)59-41-38-51(43-63(59)66)67(49-35-32-45(33-36-49)53-29-17-30-54-52-25-12-11-18-44(52)34-39-56(53)54)50-37-40-57-55-26-13-14-28-60(55)64(46-19-5-2-6-20-46)65(61(57)42-50)47-21-7-3-8-22-47/h2-43H,1H3
InChIKeyABCGUCLVHXGDSB-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-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

N-(9-methyl-9-phenylfluoren-2-yl)-N-phenanthren-1-yl-9,10-diphenylphenanthren-2-amine
CID 169062329
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169061823
N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenylfluoren-2-amine
CID 169063657
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 169064284
N-(9-methyl-9-phenylfluoren-1-yl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063963
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169062955) is N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4ccccc45)cc3)c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is ABCGUCLVHXGDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-66(48-23-9-4-10-24-48)62-31-16-15-27-58(62)59-41-38-51(43-63(59)66)67(49-35-32-45(33-36-49)53-29-17-30-54-52-25-12-11-18-44(52)34-39-56(53)54)50-37-40-57-55-26-13-14-28-60(55)64(46-19-5-2-6-20-46)65(61(57)42-50)47-21-7-3-8-22-47/h2-43H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 852.09 g/mol, XLogP of 18.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenanthren-1-ylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169062955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).