N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine

C73H49N — CID 169063961

IUPACN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C73H49N/c1-5-23-51(24-6-1)71-65-37-16-15-35-62(65)63-44-42-56(48-67(63)72(71)52-25-7-2-8-26-52)61-34-18-20-39-70(61)74(59-33-21-28-54(47-59)55-41-40-50-22-13-14-27-53(50)46-55)60-43-45-69-66(49-60)64-36-17-19-38-68(64)73(69,57-29-9-3-10-30-57)58-31-11-4-12-32-58/h1-49H
InChIKeyZWHHUIUOKWRWMZ-UHFFFAOYSA-N
MW940.20 g/mol
LogP19.65
Rot. Bonds9

About N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 169063961) has the molecular formula C73H49N and a molecular weight of 940.20 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID169063961
Molecular FormulaC73H49N
Molecular Weight940.20 g/mol
Exact Mass939.39
IUPAC NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C73H49N/c1-5-23-51(24-6-1)71-65-37-16-15-35-62(65)63-44-42-56(48-67(63)72(71)52-25-7-2-8-26-52)61-34-18-20-39-70(61)74(59-33-21-28-54(47-59)55-41-40-50-22-13-14-27-53(50)46-55)60-43-45-69-66(49-60)64-36-17-19-38-68(64)73(69,57-29-9-3-10-30-57)58-31-11-4-12-32-58/h1-49H
InChIKeyZWHHUIUOKWRWMZ-UHFFFAOYSA-N
XLogP19.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.20
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169064937
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169065431
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063862
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenylfluoren-3-amine
CID 169065352
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)fluoren-4-amine
CID 169065379
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169062873
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 169061855
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614658
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 169063961) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4ccccc4N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is ZWHHUIUOKWRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N/c1-5-23-51(24-6-1)71-65-37-16-15-35-62(65)63-44-42-56(48-67(63)72(71)52-25-7-2-8-26-52)61-34-18-20-39-70(61)74(59-33-21-28-54(47-59)55-41-40-50-22-13-14-27-53(50)46-55)60-43-45-69-66(49-60)64-36-17-19-38-68(64)73(69,57-29-9-3-10-30-57)58-31-11-4-12-32-58/h1-49H.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 940.20 g/mol, XLogP of 19.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 169063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).