N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene

C67H59FN2O — CID 144614329

IUPACN-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene
SMILESCC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)c3ccccc3n4C)c3cccc4oc5ccccc5c34)c3ccccc3c1-2.Cc1ccccc1F
InChIInChI=1S/C45H34N2O.C13H12.C7H7F.C2H6/c1-27-20-22-32-35(24-27)45(2,3)36-26-40(29-12-5-6-14-31(29)43(32)36)47(39-17-11-19-42-44(39)33-15-8-10-18-41(33)48-42)28-21-23-38-34(25-28)30-13-7-9-16-37(30)46(38)4;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-6-4-2-3-5-7(6)8;1-2/h5-26H,1-4H3;2-10H,1H3;2-5H,1H3;1-2H3
InChIKeyXIJWTBYVXQACGL-UHFFFAOYSA-N
MW927.22 g/mol
LogP19.29
Rot. Bonds4

About N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene

N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene (PubChem CID 144614329) has the molecular formula C67H59FN2O and a molecular weight of 927.22 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene
PubChem CID144614329
Molecular FormulaC67H59FN2O
Molecular Weight927.22 g/mol
Exact Mass926.46
IUPAC NameN-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene
SMILESCC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)c3ccccc3n4C)c3cccc4oc5ccccc5c34)c3ccccc3c1-2.Cc1ccccc1F
InChIInChI=1S/C45H34N2O.C13H12.C7H7F.C2H6/c1-27-20-22-32-35(24-27)45(2,3)36-26-40(29-12-5-6-14-31(29)43(32)36)47(39-17-11-19-42-44(39)33-15-8-10-18-41(33)48-42)28-21-23-38-34(25-28)30-13-7-9-16-37(30)46(38)4;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-6-4-2-3-5-7(6)8;1-2/h5-26H,1-4H3;2-10H,1H3;2-5H,1H3;1-2H3
InChIKeyXIJWTBYVXQACGL-UHFFFAOYSA-N
XLogP19.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.22
LogP ≤ 519.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
N-dibenzothiophen-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;9-ethyl-3-methyl-9H-fluorene;toluene
CID 144614559
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
CID 144614134
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
N-(9,9-dimethylfluoren-4-yl)-N-(4-methylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138484965
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-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene?
The IUPAC name of N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene (CID 144614329) is N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene.
What is the SMILES notation for N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene?
The canonical SMILES for N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene is CC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)c3ccccc3n4C)c3cccc4oc5ccccc5c34)c3ccccc3c1-2.Cc1ccccc1F.
What is the InChIKey of N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene?
The InChIKey is XIJWTBYVXQACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2O.C13H12.C7H7F.C2H6/c1-27-20-22-32-35(24-27)45(2,3)36-26-40(29-12-5-6-14-31(29)43(32)36)47(39-17-11-19-42-44(39)33-15-8-10-18-41(33)48-42)28-21-23-38-34(25-28)30-13-7-9-16-37(30)46(38)4;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-6-4-2-3-5-7(6)8;1-2/h5-26H,1-4H3;2-10H,1H3;2-5H,1H3;1-2H3.
What are the key properties of N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene?
N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene has a molecular weight of 927.22 g/mol, XLogP of 19.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene is sourced from PubChem (CID 144614329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).