N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine

C55H38N2 — CID 162779873

IUPACN-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54Cc5ccccc5C4)c4ccccc4-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C55H38N2/c1-2-18-42(19-3-1)57-53-25-13-10-22-47(53)49-34-44(29-31-54(49)57)56(52-24-12-9-20-45(52)39-27-26-37-14-4-5-15-38(37)32-39)43-28-30-51-48(33-43)46-21-8-11-23-50(46)55(51)35-40-16-6-7-17-41(40)36-55/h1-34H,35-36H2
InChIKeyKUQDTTJVTQCZSU-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.14
Rot. Bonds5

About N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine

N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine (PubChem CID 162779873) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine
PubChem CID162779873
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC NameN-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54Cc5ccccc5C4)c4ccccc4-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C55H38N2/c1-2-18-42(19-3-1)57-53-25-13-10-22-47(53)49-34-44(29-31-54(49)57)56(52-24-12-9-20-45(52)39-27-26-37-14-4-5-15-38(37)32-39)43-28-30-51-48(33-43)46-21-8-11-23-50(46)55(51)35-40-16-6-7-17-41(40)36-55/h1-34H,35-36H2
InChIKeyKUQDTTJVTQCZSU-UHFFFAOYSA-N
XLogP14.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(3-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine;N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-(2-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(3-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 163655086
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]fluoren-2-amine
CID 158211365
9-phenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-3-amine
CID 174257832
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-6-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158614914
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 134488038
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
2-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 157115860

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The IUPAC name of N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine (CID 162779873) is N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine.
What is the SMILES notation for N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The canonical SMILES for N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)-c4ccccc4C54Cc5ccccc5C4)c4ccccc4-c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine?
The InChIKey is KUQDTTJVTQCZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-2-18-42(19-3-1)57-53-25-13-10-22-47(53)49-34-44(29-31-54(49)57)56(52-24-12-9-20-45(52)39-27-26-37-14-4-5-15-38(37)32-39)43-28-30-51-48(33-43)46-21-8-11-23-50(46)55(51)35-40-16-6-7-17-41(40)36-55/h1-34H,35-36H2.
What are the key properties of N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine?
N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine has a molecular weight of 726.92 g/mol, XLogP of 14.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 162779873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).