N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C79H50N2O — CID 138577333

IUPACN-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc43)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C79H50N2O/c1-5-18-51(19-6-1)54-32-38-60(39-33-54)80(75-30-17-31-77-78(75)68-47-56(37-45-76(68)82-77)55-36-44-74-67(46-55)66-27-14-16-29-73(66)81(74)59-24-11-4-12-25-59)61-40-43-65-62-26-13-15-28-69(62)79(72(65)50-61)70-48-57(52-20-7-2-8-21-52)34-41-63(70)64-42-35-58(49-71(64)79)53-22-9-3-10-23-53/h1-50H
InChIKeyQWOMDGKWRKLMSH-UHFFFAOYSA-N
MW1043.28 g/mol
LogP21.16
Rot. Bonds8

About N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 138577333) has the molecular formula C79H50N2O and a molecular weight of 1043.28 g/mol. Its IUPAC name is N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID138577333
Molecular FormulaC79H50N2O
Molecular Weight1043.28 g/mol
Exact Mass1042.39
IUPAC NameN-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc43)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C79H50N2O/c1-5-18-51(19-6-1)54-32-38-60(39-33-54)80(75-30-17-31-77-78(75)68-47-56(37-45-76(68)82-77)55-36-44-74-67(46-55)66-27-14-16-29-73(66)81(74)59-24-11-4-12-25-59)61-40-43-65-62-26-13-15-28-69(62)79(72(65)50-61)70-48-57(52-20-7-2-8-21-52)34-41-63(70)64-42-35-58(49-71(64)79)53-22-9-3-10-23-53/h1-50H
InChIKeyQWOMDGKWRKLMSH-UHFFFAOYSA-N
XLogP21.16
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.28
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-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-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 138577477
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-dibenzofuran-1-yl-9-(4-methylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 138716934
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-7-amine
CID 169060930
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 138577333) is N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-c5ccccc5)ccc4-c4ccc(-c5ccccc5)cc43)c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc2)cc1.
What is the InChIKey of N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is QWOMDGKWRKLMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H50N2O/c1-5-18-51(19-6-1)54-32-38-60(39-33-54)80(75-30-17-31-77-78(75)68-47-56(37-45-76(68)82-77)55-36-44-74-67(46-55)66-27-14-16-29-73(66)81(74)59-24-11-4-12-25-59)61-40-43-65-62-26-13-15-28-69(62)79(72(65)50-61)70-48-57(52-20-7-2-8-21-52)34-41-63(70)64-42-35-58(49-71(64)79)53-22-9-3-10-23-53/h1-50H.
What are the key properties of N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 1043.28 g/mol, XLogP of 21.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 138577333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).