N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

C60H45NO — CID 170114215

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C60H45NO/c1-3-19-41(20-4-1)45-23-5-6-24-47(45)48-25-7-8-26-49(48)51-28-10-13-33-57(51)61(44-35-36-56-54(40-44)50-27-9-12-32-55(50)60(56)37-15-2-16-38-60)43-22-17-21-42(39-43)46-30-18-31-53-52-29-11-14-34-58(52)62-59(46)53/h1,3-14,17-36,39-40H,2,15-16,37-38H2
InChIKeyGJRLRUKQNFUTMX-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.95
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (PubChem CID 170114215) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
PubChem CID170114215
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C60H45NO/c1-3-19-41(20-4-1)45-23-5-6-24-47(45)48-25-7-8-26-49(48)51-28-10-13-33-57(51)61(44-35-36-56-54(40-44)50-27-9-12-32-55(50)60(56)37-15-2-16-38-60)43-22-17-21-42(39-43)46-30-18-31-53-52-29-11-14-34-58(52)62-59(46)53/h1,3-14,17-36,39-40H,2,15-16,37-38H2
InChIKeyGJRLRUKQNFUTMX-UHFFFAOYSA-N
XLogP16.95
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114783
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 139568275
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(4-phenanthren-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170116780
N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
CID 169029878
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170114508

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine (CID 170114215) is N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
The InChIKey is GJRLRUKQNFUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-3-19-41(20-4-1)45-23-5-6-24-47(45)48-25-7-8-26-49(48)51-28-10-13-33-57(51)61(44-35-36-56-54(40-44)50-27-9-12-32-55(50)60(56)37-15-2-16-38-60)43-22-17-21-42(39-43)46-30-18-31-53-52-29-11-14-34-58(52)62-59(46)53/h1,3-14,17-36,39-40H,2,15-16,37-38H2.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine has a molecular weight of 796.03 g/mol, XLogP of 16.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine is sourced from PubChem (CID 170114215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).