6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine

C51H32N2 — CID 167126698

IUPAC6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c4c4c(cccc4n2-c2ccc4ccccc4c2)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H32N2/c1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)45-31-29-44-48-40(45)28-30-47-50(48)49-43(51(44)41-22-11-9-20-38(41)39-21-10-12-23-42(39)51)24-13-25-46(49)53(47)37-27-26-33-14-7-8-15-34(33)32-37/h1-32H
InChIKeyGASWDTRZQOJKTA-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.24
Rot. Bonds4

About 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine

6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine (PubChem CID 167126698) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine.

Molecular Properties

Compound Name6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine
PubChem CID167126698
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c4c4c(cccc4n2-c2ccc4ccccc4c2)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H32N2/c1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)45-31-29-44-48-40(45)28-30-47-50(48)49-43(51(44)41-22-11-9-20-38(41)39-21-10-12-23-42(39)51)24-13-25-46(49)53(47)37-27-26-33-14-7-8-15-34(33)32-37/h1-32H
InChIKeyGASWDTRZQOJKTA-UHFFFAOYSA-N
XLogP13.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine with MolForge

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Related Compounds

4-[6-(9,9-dimethylfluoren-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]-N,N-diphenylaniline
CID 167126375
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
CID 167126746
N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline
CID 167126391
N-(4-phenanthren-3-ylphenyl)-N,6-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 167126350
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967
N-dibenzofuran-2-yl-6-naphthalen-1-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine
CID 167126709
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-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
N-dibenzofuran-2-yl-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
CID 167126740
N-naphthalen-1-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158680730
9-(9,9-diethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine
CID 101142979
15-naphthalen-2-yl-N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 123555139

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine?
The IUPAC name of 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine (CID 167126698) is 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine.
What is the SMILES notation for 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine?
The canonical SMILES for 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine is c1ccc(N(c2ccccc2)c2ccc3c4c2ccc2c4c4c(cccc4n2-c2ccc4ccccc4c2)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine?
The InChIKey is GASWDTRZQOJKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-3-16-35(17-4-1)52(36-18-5-2-6-19-36)45-31-29-44-48-40(45)28-30-47-50(48)49-43(51(44)41-22-11-9-20-38(41)39-21-10-12-23-42(39)51)24-13-25-46(49)53(47)37-27-26-33-14-7-8-15-34(33)32-37/h1-32H.
What are the key properties of 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine?
6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine has a molecular weight of 672.83 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine is sourced from PubChem (CID 167126698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).