N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

C52H38N2O — CID 138484965

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
SMILESCc1ccc(N(c2cccc3c2-c2ccccc2C3(C)C)c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C52H38N2O/c1-33-23-27-37(28-24-33)54(46-20-11-18-43-50(46)39-16-7-9-17-42(39)52(43,2)3)47-21-12-22-49-51(47)41-32-35(26-30-48(41)55-49)34-25-29-45-40(31-34)38-15-8-10-19-44(38)53(45)36-13-5-4-6-14-36/h4-32H,1-3H3
InChIKeyWKMIQYTXFMSCBJ-UHFFFAOYSA-N
MW706.89 g/mol
LogP14.43
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (PubChem CID 138484965) has the molecular formula C52H38N2O and a molecular weight of 706.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
PubChem CID138484965
Molecular FormulaC52H38N2O
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
SMILESCc1ccc(N(c2cccc3c2-c2ccccc2C3(C)C)c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C52H38N2O/c1-33-23-27-37(28-24-33)54(46-20-11-18-43-50(46)39-16-7-9-17-42(39)52(43,2)3)47-21-12-22-49-51(47)41-32-35(26-30-48(41)55-49)34-25-29-45-40(31-34)38-15-8-10-19-44(38)53(45)36-13-5-4-6-14-36/h4-32H,1-3H3
InChIKeyWKMIQYTXFMSCBJ-UHFFFAOYSA-N
XLogP14.43
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-4-yl)-8-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484881
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-6-phenylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577371
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429
N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 167095022
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
4-[3-[3-[9-(4-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-4-yl)anilino)dibenzofuran-2-yl]carbazol-9-yl]phenyl]-N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155120194
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine;methane
CID 158611261
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (CID 138484965) is N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is Cc1ccc(N(c2cccc3c2-c2ccccc2C3(C)C)c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The InChIKey is WKMIQYTXFMSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2O/c1-33-23-27-37(28-24-33)54(46-20-11-18-43-50(46)39-16-7-9-17-42(39)52(43,2)3)47-21-12-22-49-51(47)41-32-35(26-30-48(41)55-49)34-25-29-45-40(31-34)38-15-8-10-19-44(38)53(45)36-13-5-4-6-14-36/h4-32H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine has a molecular weight of 706.89 g/mol, XLogP of 14.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138484965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).