N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine

C61H38N2O — CID 164794089

IUPACN,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)Oc1cc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)ccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C61H38N2O/c1-3-15-42-35-44(29-27-39(42)13-1)62(46-31-33-50-49-20-6-9-25-56(49)63(57(50)37-46)45-30-28-40-14-2-4-16-43(40)36-45)47-32-34-54-59(38-47)64-58-26-10-8-23-53(58)61(54)52-22-7-5-19-48(52)51-21-11-17-41-18-12-24-55(61)60(41)51/h1-38H
InChIKeyGYCWIIZOGRQMKT-UHFFFAOYSA-N
MW814.99 g/mol
LogP16.18
Rot. Bonds4

About N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine

N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (PubChem CID 164794089) has the molecular formula C61H38N2O and a molecular weight of 814.99 g/mol. Its IUPAC name is N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
PubChem CID164794089
Molecular FormulaC61H38N2O
Molecular Weight814.99 g/mol
Exact Mass814.30
IUPAC NameN,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)Oc1cc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)ccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C61H38N2O/c1-3-15-42-35-44(29-27-39(42)13-1)62(46-31-33-50-49-20-6-9-25-56(49)63(57(50)37-46)45-30-28-40-14-2-4-16-43(40)36-45)47-32-34-54-59(38-47)64-58-26-10-8-23-53(58)61(54)52-22-7-5-19-48(52)51-21-11-17-41-18-12-24-55(61)60(41)51/h1-38H
InChIKeyGYCWIIZOGRQMKT-UHFFFAOYSA-N
XLogP16.18
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-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-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 164732134
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794838
9-dibenzofuran-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164949941
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164955253
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
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
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 165023842
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165032173
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886

Frequently Asked Questions

What is the IUPAC name of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The IUPAC name of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (CID 164794089) is N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The canonical SMILES for N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is c1ccc2c(c1)Oc1cc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c3)ccc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
The InChIKey is GYCWIIZOGRQMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O/c1-3-15-42-35-44(29-27-39(42)13-1)62(46-31-33-50-49-20-6-9-25-56(49)63(57(50)37-46)45-30-28-40-14-2-4-16-43(40)36-45)47-32-34-54-59(38-47)64-58-26-10-8-23-53(58)61(54)52-22-7-5-19-48(52)51-21-11-17-41-18-12-24-55(61)60(41)51/h1-38H.
What are the key properties of N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine?
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine has a molecular weight of 814.99 g/mol, XLogP of 16.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 164794089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).