9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine

C65H42N2O — CID 164794017

IUPAC9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5cccc6cccc4c56)ccc32)cc1
InChIInChI=1S/C65H42N2O/c1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)67-59-35-14-11-28-52(59)54-41-47(37-39-60(54)67)66(46-25-8-3-9-26-46)48-38-40-62-58(42-48)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)53-31-16-23-45-24-17-34-57(65)63(45)53/h1-42H
InChIKeyBNMIZSOILRHLBJ-UHFFFAOYSA-N
MW867.06 g/mol
LogP17.21
Rot. Bonds6

About 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine

9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine (PubChem CID 164794017) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
PubChem CID164794017
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC Name9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5cccc6cccc4c56)ccc32)cc1
InChIInChI=1S/C65H42N2O/c1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)67-59-35-14-11-28-52(59)54-41-47(37-39-60(54)67)66(46-25-8-3-9-26-46)48-38-40-62-58(42-48)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)53-31-16-23-45-24-17-34-57(65)63(45)53/h1-42H
InChIKeyBNMIZSOILRHLBJ-UHFFFAOYSA-N
XLogP17.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-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

9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794927
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165007618
N-(2,6-diphenylphenyl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165026256
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794224
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
CID 164965781
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794173
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
The IUPAC name of 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine (CID 164794017) is 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine.
What is the SMILES notation for 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
The canonical SMILES for 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5cccc6cccc4c56)ccc32)cc1.
What is the InChIKey of 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
The InChIKey is BNMIZSOILRHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-4-19-43(20-5-1)49-29-18-30-50(44-21-6-2-7-22-44)64(49)67-59-35-14-11-28-52(59)54-41-47(37-39-60(54)67)66(46-25-8-3-9-26-46)48-38-40-62-58(42-48)65(56-33-13-15-36-61(56)68-62)55-32-12-10-27-51(55)53-31-16-23-45-24-17-34-57(65)63(45)53/h1-42H.
What are the key properties of 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine?
9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine has a molecular weight of 867.06 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine is sourced from PubChem (CID 164794017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).