N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine

C51H33N — CID 145144966

IUPACN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5c(c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-13-34(14-3-1)35-25-29-38(30-26-35)52(49-24-12-16-36-15-4-5-17-40(36)49)39-31-27-37-28-32-44-43-20-8-11-23-48(43)51(50(44)45(37)33-39)46-21-9-6-18-41(46)42-19-7-10-22-47(42)51/h1-33H
InChIKeyRTSQEFGZABHXRH-UHFFFAOYSA-N
MW659.83 g/mol
LogP13.47
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine

N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine (PubChem CID 145144966) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
PubChem CID145144966
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC NameN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5c(c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-13-34(14-3-1)35-25-29-38(30-26-35)52(49-24-12-16-36-15-4-5-17-40(36)49)39-31-27-37-28-32-44-43-20-8-11-23-48(43)51(50(44)45(37)33-39)46-21-9-6-18-41(46)42-19-7-10-22-47(42)51/h1-33H
InChIKeyRTSQEFGZABHXRH-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-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 165158458
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 140962790
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-fluoranthen-8-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 139498985

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine (CID 145144966) is N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc4ccc5c(c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine?
The InChIKey is RTSQEFGZABHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-2-13-34(14-3-1)35-25-29-38(30-26-35)52(49-24-12-16-36-15-4-5-17-40(36)49)39-31-27-37-28-32-44-43-20-8-11-23-48(43)51(50(44)45(37)33-39)46-21-9-6-18-41(46)42-19-7-10-22-47(42)51/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine?
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-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-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine is sourced from PubChem (CID 145144966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).