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

C51H33NO — CID 164794128

IUPACN-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)ccc3c2)cc1
InChIInChI=1S/C51H33NO/c1-3-13-34(14-4-1)36-25-26-38-32-40(28-27-37(38)31-36)52(39-17-5-2-6-18-39)41-29-30-46-49(33-41)53-48-24-10-9-22-45(48)51(46)44-21-8-7-19-42(44)43-20-11-15-35-16-12-23-47(51)50(35)43/h1-33H
InChIKeyZICKBOWVBQFKGR-UHFFFAOYSA-N
MW675.83 g/mol
LogP13.60
Rot. Bonds4

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

N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine (PubChem CID 164794128) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
PubChem CID164794128
Molecular FormulaC51H33NO
Molecular Weight675.83 g/mol
Exact Mass675.26
IUPAC NameN-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)ccc3c2)cc1
InChIInChI=1S/C51H33NO/c1-3-13-34(14-4-1)36-25-26-38-32-40(28-27-37(38)31-36)52(39-17-5-2-6-18-39)41-29-30-46-49(33-41)53-48-24-10-9-22-45(48)51(46)44-21-8-7-19-42(44)43-20-11-15-35-16-12-23-47(51)50(35)43/h1-33H
InChIKeyZICKBOWVBQFKGR-UHFFFAOYSA-N
XLogP13.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.83
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-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-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
CID 172539697
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
CID 172539696
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164793870
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The IUPAC name of N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine (CID 164794128) is N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine.
What is the SMILES notation for N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The canonical SMILES for N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine is c1ccc(-c2ccc3cc(N(c4ccccc4)c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)ccc3c2)cc1.
What is the InChIKey of N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The InChIKey is ZICKBOWVBQFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-3-13-34(14-4-1)36-25-26-38-32-40(28-27-37(38)31-36)52(39-17-5-2-6-18-39)41-29-30-46-49(33-41)53-48-24-10-9-22-45(48)51(46)44-21-8-7-19-42(44)43-20-11-15-35-16-12-23-47(51)50(35)43/h1-33H.
What are the key properties of N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine has a molecular weight of 675.83 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine is sourced from PubChem (CID 164794128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).