N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine

C51H33NO — CID 164794073

IUPACN-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)c3ccccc23)cc1
InChIInChI=1S/C51H33NO/c1-3-15-34(16-4-1)38-30-31-47(41-23-8-7-21-39(38)41)52(36-19-5-2-6-20-36)37-29-32-49-46(33-37)51(44-26-11-12-28-48(44)53-49)43-25-10-9-22-40(43)42-24-13-17-35-18-14-27-45(51)50(35)42/h1-33H
InChIKeyIHLKLWGJJJKTMV-UHFFFAOYSA-N
MW675.83 g/mol
LogP13.60
Rot. Bonds4

About N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine

N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (PubChem CID 164794073) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
PubChem CID164794073
Molecular FormulaC51H33NO
Molecular Weight675.83 g/mol
Exact Mass675.26
IUPAC NameN-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)c3ccccc23)cc1
InChIInChI=1S/C51H33NO/c1-3-15-34(16-4-1)38-30-31-47(41-23-8-7-21-39(38)41)52(36-19-5-2-6-20-36)37-29-32-49-46(33-37)51(44-26-11-12-28-48(44)53-49)43-25-10-9-22-40(43)42-24-13-17-35-18-14-27-45(51)50(35)42/h1-33H
InChIKeyIHLKLWGJJJKTMV-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

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Related Compounds

N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164793897
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476565
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
CID 164794401
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794017
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164793870
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The IUPAC name of N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (CID 164794073) is N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The canonical SMILES for N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The InChIKey is IHLKLWGJJJKTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-3-15-34(16-4-1)38-30-31-47(41-23-8-7-21-39(38)41)52(36-19-5-2-6-20-36)37-29-32-49-46(33-37)51(44-26-11-12-28-48(44)53-49)43-25-10-9-22-40(43)42-24-13-17-35-18-14-27-45(51)50(35)42/h1-33H.
What are the key properties of N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-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-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is sourced from PubChem (CID 164794073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).