4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C51H37NO — CID 140919522

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C51H37NO/c1-51(2)46-22-12-9-20-41(46)42-30-27-37(31-47(42)51)44-32-39(33-45-43-21-11-14-24-49(43)53-50(44)45)52(38-28-25-35(26-29-38)34-15-5-3-6-16-34)48-23-13-10-19-40(48)36-17-7-4-8-18-36/h3-33H,1-2H3
InChIKeyNYBQYZCGTVVOGT-UHFFFAOYSA-N
MW679.86 g/mol
LogP14.36
Rot. Bonds6

About 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 140919522) has the molecular formula C51H37NO and a molecular weight of 679.86 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID140919522
Molecular FormulaC51H37NO
Molecular Weight679.86 g/mol
Exact Mass679.29
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C51H37NO/c1-51(2)46-22-12-9-20-41(46)42-30-27-37(31-47(42)51)44-32-39(33-45-43-21-11-14-24-49(43)53-50(44)45)52(38-28-25-35(26-29-38)34-15-5-3-6-16-34)48-23-13-10-19-40(48)36-17-7-4-8-18-36/h3-33H,1-2H3
InChIKeyNYBQYZCGTVVOGT-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160821142
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
4-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 176607739
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 140919522) is 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)cc4c3oc3ccccc34)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is NYBQYZCGTVVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)46-22-12-9-20-41(46)42-30-27-37(31-47(42)51)44-32-39(33-45-43-21-11-14-24-49(43)53-50(44)45)52(38-28-25-35(26-29-38)34-15-5-3-6-16-34)48-23-13-10-19-40(48)36-17-7-4-8-18-36/h3-33H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 679.86 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 140919522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).