9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine

C66H50N2 — CID 170118881

IUPAC9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C66H50N2/c1-4-21-47(22-5-1)51-25-8-9-26-52(51)53-27-10-11-28-54(53)57-30-13-16-34-62(57)67(64-36-20-32-59-58-31-14-17-35-63(58)68(65(59)64)49-23-6-2-7-24-49)50-40-37-46(38-41-50)48-39-42-56-55-29-12-15-33-60(55)66(61(56)45-48)43-18-3-19-44-66/h1-2,4-17,20-42,45H,3,18-19,43-44H2
InChIKeyZTCPRNKUWDEJIH-UHFFFAOYSA-N
MW871.14 g/mol
LogP18.15
Rot. Bonds8

About 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine

9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine (PubChem CID 170118881) has the molecular formula C66H50N2 and a molecular weight of 871.14 g/mol. Its IUPAC name is 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine
PubChem CID170118881
Molecular FormulaC66H50N2
Molecular Weight871.14 g/mol
Exact Mass870.40
IUPAC Name9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C66H50N2/c1-4-21-47(22-5-1)51-25-8-9-26-52(51)53-27-10-11-28-54(53)57-30-13-16-34-62(57)67(64-36-20-32-59-58-31-14-17-35-63(58)68(65(59)64)49-23-6-2-7-24-49)50-40-37-46(38-41-50)48-39-42-56-55-29-12-15-33-60(55)66(61(56)45-48)43-18-3-19-44-66/h1-2,4-17,20-42,45H,3,18-19,43-44H2
InChIKeyZTCPRNKUWDEJIH-UHFFFAOYSA-N
XLogP18.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.14
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline
CID 170112827
N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112904
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine
CID 170119565
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170111363
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine
CID 169023204
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 170117213
2-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166917
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112907

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine?
The IUPAC name of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine (CID 170118881) is 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine.
What is the SMILES notation for 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine?
The canonical SMILES for 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine?
The InChIKey is ZTCPRNKUWDEJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2/c1-4-21-47(22-5-1)51-25-8-9-26-52(51)53-27-10-11-28-54(53)57-30-13-16-34-62(57)67(64-36-20-32-59-58-31-14-17-35-63(58)68(65(59)64)49-23-6-2-7-24-49)50-40-37-46(38-41-50)48-39-42-56-55-29-12-15-33-60(55)66(61(56)45-48)43-18-3-19-44-66/h1-2,4-17,20-42,45H,3,18-19,43-44H2.
What are the key properties of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine?
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine has a molecular weight of 871.14 g/mol, XLogP of 18.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine is sourced from PubChem (CID 170118881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).