N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine

C57H38N2 — CID 146508991

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine
SMILESc1ccc(-c2c3ccccc3n3cc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccccc6c5)ccc4cc23)cc1
InChIInChI=1S/C57H38N2/c1-4-17-40(18-5-1)56-51-25-13-15-27-54(51)58-38-43-35-47(31-29-42(43)36-55(56)58)59(46-30-28-39-16-10-11-19-41(39)34-46)48-32-33-50-49-24-12-14-26-52(49)57(53(50)37-48,44-20-6-2-7-21-44)45-22-8-3-9-23-45/h1-38H
InChIKeyBRMGPUARLCJUQG-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.90
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine (PubChem CID 146508991) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine
PubChem CID146508991
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine
SMILESc1ccc(-c2c3ccccc3n3cc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccccc6c5)ccc4cc23)cc1
InChIInChI=1S/C57H38N2/c1-4-17-40(18-5-1)56-51-25-13-15-27-54(51)58-38-43-35-47(31-29-42(43)36-55(56)58)59(46-30-28-39-16-10-11-19-41(39)34-46)48-32-33-50-49-24-12-14-26-52(49)57(53(50)37-48,44-20-6-2-7-21-44)45-22-8-3-9-23-45/h1-38H
InChIKeyBRMGPUARLCJUQG-UHFFFAOYSA-N
XLogP14.90
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-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-naphthalen-2-yl-9-(2-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375391
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]fluoren-2-amine
CID 146508899
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155346
N-naphthalen-2-yl-9,9-diphenyl-N-[9-phenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-yl]fluoren-2-amine
CID 134452960
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 166565681
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166566306
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 165155471
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine (CID 146508991) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine is c1ccc(-c2c3ccccc3n3cc4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6ccccc6c5)ccc4cc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine?
The InChIKey is BRMGPUARLCJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-4-17-40(18-5-1)56-51-25-13-15-27-54(51)58-38-43-35-47(31-29-42(43)36-55(56)58)59(46-30-28-39-16-10-11-19-41(39)34-46)48-32-33-50-49-24-12-14-26-52(49)57(53(50)37-48,44-20-6-2-7-21-44)45-22-8-3-9-23-45/h1-38H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine has a molecular weight of 750.95 g/mol, XLogP of 14.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-12-phenylindolo[1,2-b]isoquinolin-8-amine is sourced from PubChem (CID 146508991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).