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

C51H33NO — CID 164793897

IUPACN-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)ccc3ccccc23)cc1
InChIInChI=1S/C51H33NO/c1-3-16-36(17-4-1)50-39-22-8-7-15-34(39)29-31-46(50)52(37-20-5-2-6-21-37)38-30-32-48-45(33-38)51(43-26-11-12-28-47(43)53-48)42-25-10-9-23-40(42)41-24-13-18-35-19-14-27-44(51)49(35)41/h1-33H
InChIKeyXNDXNALKJZTFEJ-UHFFFAOYSA-N
MW675.83 g/mol
LogP13.60
Rot. Bonds4

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

N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (PubChem CID 164793897) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
PubChem CID164793897
Molecular FormulaC51H33NO
Molecular Weight675.83 g/mol
Exact Mass675.26
IUPAC NameN-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)ccc3ccccc23)cc1
InChIInChI=1S/C51H33NO/c1-3-16-36(17-4-1)50-39-22-8-7-15-34(39)29-31-46(50)52(37-20-5-2-6-21-37)38-30-32-48-45(33-38)51(43-26-11-12-28-47(43)53-48)42-25-10-9-23-40(42)41-24-13-18-35-19-14-27-44(51)49(35)41/h1-33H
InChIKeyXNDXNALKJZTFEJ-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-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-11-amine
CID 164730939
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-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine;N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164949149
N-naphtho[1,2-b][1]benzothiol-9-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
CID 164794719

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The IUPAC name of N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (CID 164793897) is N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.
What is the SMILES notation for N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The canonical SMILES for N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is c1ccc(-c2c(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4cccc5cccc3c45)ccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The InChIKey is XNDXNALKJZTFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-3-16-36(17-4-1)50-39-22-8-7-15-34(39)29-31-46(50)52(37-20-5-2-6-21-37)38-30-32-48-45(33-38)51(43-26-11-12-28-47(43)53-48)42-25-10-9-23-40(42)41-24-13-18-35-19-14-27-44(51)49(35)41/h1-33H.
What are the key properties of N-phenyl-N-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
N-phenyl-N-(1-phenylnaphthalen-2-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-(1-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is sourced from PubChem (CID 164793897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).