9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine

C60H46N2 — CID 170119565

IUPAC9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32CCCCC2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C60H46N2/c1-4-20-42(21-5-1)46-24-8-9-25-47(46)48-26-10-11-27-49(48)51-29-13-16-32-57(51)61(44-35-37-56-54(40-44)50-28-12-15-31-55(50)60(56)38-18-3-19-39-60)45-34-36-53-52-30-14-17-33-58(52)62(59(53)41-45)43-22-6-2-7-23-43/h1-2,4-17,20-37,40-41H,3,18-19,38-39H2
InChIKeyVYFYPEVLIAKJFU-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.49
Rot. Bonds7

About 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine

9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine (PubChem CID 170119565) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine
PubChem CID170119565
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32CCCCC2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C60H46N2/c1-4-20-42(21-5-1)46-24-8-9-25-47(46)48-26-10-11-27-49(48)51-29-13-16-32-57(51)61(44-35-37-56-54(40-44)50-28-12-15-31-55(50)60(56)38-18-3-19-39-60)45-34-36-53-52-30-14-17-33-58(52)62(59(53)41-45)43-22-6-2-7-23-43/h1-2,4-17,20-37,40-41H,3,18-19,38-39H2
InChIKeyVYFYPEVLIAKJFU-UHFFFAOYSA-N
XLogP16.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170111363
N-(3-carbazol-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-6'-[9-[2-[2-[2-(2-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylanilino]phenyl]-6,7-dihydrocarbazol-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170111775
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)aniline
CID 170112827
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazol-1-amine
CID 170118881
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790396
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine?
The IUPAC name of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine (CID 170119565) is 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32CCCCC2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine?
The InChIKey is VYFYPEVLIAKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-4-20-42(21-5-1)46-24-8-9-25-47(46)48-26-10-11-27-49(48)51-29-13-16-32-57(51)61(44-35-37-56-54(40-44)50-28-12-15-31-55(50)60(56)38-18-3-19-39-60)45-34-36-53-52-30-14-17-33-58(52)62(59(53)41-45)43-22-6-2-7-23-43/h1-2,4-17,20-37,40-41H,3,18-19,38-39H2.
What are the key properties of 9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine?
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine has a molecular weight of 795.04 g/mol, XLogP of 16.49, 7 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-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 170119565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).