9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine

C55H38N2O — CID 134252353

IUPAC9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5c4c4ccccc4n5-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-21-11-8-18-42(48)43-31-30-41(33-49(43)55)56(38-16-4-3-5-17-38)39-27-25-36(26-28-39)46-34-47-44-19-10-13-23-51(44)58-54(47)53-52(46)45-20-9-12-22-50(45)57(53)40-29-24-35-14-6-7-15-37(35)32-40/h3-34H,1-2H3
InChIKeyVOPCJKYMMXNOIL-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.28
Rot. Bonds5

About 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine (PubChem CID 134252353) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine
PubChem CID134252353
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5c4c4ccccc4n5-c4ccc5ccccc5c4)cc3)cc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-21-11-8-18-42(48)43-31-30-41(33-49(43)55)56(38-16-4-3-5-17-38)39-27-25-36(26-28-39)46-34-47-44-19-10-13-23-51(44)58-54(47)53-52(46)45-20-9-12-22-50(45)57(53)40-29-24-35-14-6-7-15-37(35)32-40/h3-34H,1-2H3
InChIKeyVOPCJKYMMXNOIL-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
CID 134252341
N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656552
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;11-(4-naphthalen-2-ylphenyl)-N,N-diphenylbenzo[a]carbazol-2-amine
CID 161447502
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]dibenzofuran-2-amine
CID 159153804
N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 160737128
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 58510584
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-ylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-methylaniline
CID 162052470
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenylfluoren-2-amine
CID 58390132

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine (CID 134252353) is 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5c4c4ccccc4n5-c4ccc5ccccc5c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine?
The InChIKey is VOPCJKYMMXNOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-21-11-8-18-42(48)43-31-30-41(33-49(43)55)56(38-16-4-3-5-17-38)39-27-25-36(26-28-39)46-34-47-44-19-10-13-23-51(44)58-54(47)53-52(46)45-20-9-12-22-50(45)57(53)40-29-24-35-14-6-7-15-37(35)32-40/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine has a molecular weight of 742.92 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 134252353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).