9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine

C51H35FN2 — CID 162779812

IUPAC9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C51H35FN2/c52-38-20-24-40(25-21-38)54-49-17-9-7-15-45(49)46-30-41(27-29-50(46)54)53(39-22-18-35(19-23-39)34-10-2-1-3-11-34)42-26-28-44-43-14-6-8-16-47(43)51(48(44)31-42)32-36-12-4-5-13-37(36)33-51/h1-31H,32-33H2
InChIKeyDNDBSEHWWVYATG-UHFFFAOYSA-N
MW694.85 g/mol
LogP13.12
Rot. Bonds5

About 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine

9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine (PubChem CID 162779812) has the molecular formula C51H35FN2 and a molecular weight of 694.85 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine
PubChem CID162779812
Molecular FormulaC51H35FN2
Molecular Weight694.85 g/mol
Exact Mass694.28
IUPAC Name9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C51H35FN2/c52-38-20-24-40(25-21-38)54-49-17-9-7-15-45(49)46-30-41(27-29-50(46)54)53(39-22-18-35(19-23-39)34-10-2-1-3-11-34)42-26-28-44-43-14-6-8-16-47(43)51(48(44)31-42)32-36-12-4-5-13-37(36)33-51/h1-31H,32-33H2
InChIKeyDNDBSEHWWVYATG-UHFFFAOYSA-N
XLogP13.12
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.85
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846
9-(4-fluorophenyl)-N-naphthalen-2-yl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine
CID 162779844
N,9-diphenyl-N-(4-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylphenyl)carbazol-2-amine
CID 162779800
9-(4-fluorophenyl)-N-[4-(9-methylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 129293050
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-fluorophenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 158166939
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine;9-(4-fluorophenyl)-N-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine
CID 163982536
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
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
N-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779880
N-dibenzofuran-3-yl-9-phenyl-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-2-amine
CID 162779852
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine (CID 162779812) is 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine?
The InChIKey is DNDBSEHWWVYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35FN2/c52-38-20-24-40(25-21-38)54-49-17-9-7-15-45(49)46-30-41(27-29-50(46)54)53(39-22-18-35(19-23-39)34-10-2-1-3-11-34)42-26-28-44-43-14-6-8-16-47(43)51(48(44)31-42)32-36-12-4-5-13-37(36)33-51/h1-31H,32-33H2.
What are the key properties of 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine?
9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine has a molecular weight of 694.85 g/mol, XLogP of 13.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-(4-phenylphenyl)-N-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylcarbazol-3-amine is sourced from PubChem (CID 162779812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).