N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

C51H33N — CID 134193952

IUPACN-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-12-34(13-3-1)36-22-26-39(27-23-36)52(40-28-24-35-14-4-5-16-38(35)32-40)41-29-30-45-49(33-41)51(48-31-25-37-15-6-7-17-42(37)50(45)48)46-20-10-8-18-43(46)44-19-9-11-21-47(44)51/h1-33H
InChIKeyZJDKAUTYAHQXGS-UHFFFAOYSA-N
MW659.83 g/mol
LogP13.47
Rot. Bonds4

About N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (PubChem CID 134193952) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
PubChem CID134193952
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC NameN-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-12-34(13-3-1)36-22-26-39(27-23-36)52(40-28-24-35-14-4-5-16-38(35)32-40)41-29-30-45-49(33-41)51(48-31-25-37-15-6-7-17-42(37)50(45)48)46-20-10-8-18-43(46)44-19-9-11-21-47(44)51/h1-33H
InChIKeyZJDKAUTYAHQXGS-UHFFFAOYSA-N
XLogP13.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229633
CID 134272902
CID 134272902
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (CID 134193952) is N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
The InChIKey is ZJDKAUTYAHQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-2-12-34(13-3-1)36-22-26-39(27-23-36)52(40-28-24-35-14-4-5-16-38(35)32-40)41-29-30-45-49(33-41)51(48-31-25-37-15-6-7-17-42(37)50(45)48)46-20-10-8-18-43(46)44-19-9-11-21-47(44)51/h1-33H.
What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine?
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine has a molecular weight of 659.83 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine is sourced from PubChem (CID 134193952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).