2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine

C40H30F3N3O — CID 23593276

IUPAC2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3c2c1
InChIInChI=1S/C40H30F3N3O/c1-25-9-19-38-34(21-25)35-22-30(16-20-39(35)47-38)46(28-7-5-4-6-8-28)31-15-18-33-32-17-14-29(23-36(32)45(3)37(33)24-31)44(2)27-12-10-26(11-13-27)40(41,42)43/h4-24H,1-3H3
InChIKeyFJACQKBRYXQSSF-UHFFFAOYSA-N
MW625.69 g/mol
LogP11.80
Rot. Bonds5

About 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine

2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (PubChem CID 23593276) has the molecular formula C40H30F3N3O and a molecular weight of 625.69 g/mol. Its IUPAC name is 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.

Molecular Properties

Compound Name2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
PubChem CID23593276
Molecular FormulaC40H30F3N3O
Molecular Weight625.69 g/mol
Exact Mass625.23
IUPAC Name2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3c2c1
InChIInChI=1S/C40H30F3N3O/c1-25-9-19-38-34(21-25)35-22-30(16-20-39(35)47-38)46(28-7-5-4-6-8-28)31-15-18-33-32-17-14-29(23-36(32)45(3)37(33)24-31)44(2)27-12-10-26(11-13-27)40(41,42)43/h4-24H,1-3H3
InChIKeyFJACQKBRYXQSSF-UHFFFAOYSA-N
XLogP11.80
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.69
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(9-Ethyl-9h-carbazol-3-yl)-6-fluoro-4h-chromen-4-one
CID 129886195
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
(8-(9H-Carbazol-9-yl)dibenzo[b,d]furan-2-yl)diphenylphosphine oxide
CID 101543939
11-Phenylbenzofuro[3,2-b]carbazole
CID 102324620
Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
[4-[3-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]carbazol-9-yl]phenyl] trifluoromethanesulfonate
CID 58568917
3-(1-Benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
CID 59066124
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The IUPAC name of 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine (CID 23593276) is 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine.
What is the SMILES notation for 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The canonical SMILES for 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is Cc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c6ccc(N(C)c7ccc(C(F)(F)F)cc7)cc6n(C)c5c4)cc3c2c1.
What is the InChIKey of 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
The InChIKey is FJACQKBRYXQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F3N3O/c1-25-9-19-38-34(21-25)35-22-30(16-20-39(35)47-38)46(28-7-5-4-6-8-28)31-15-18-33-32-17-14-29(23-36(32)45(3)37(33)24-31)44(2)27-12-10-26(11-13-27)40(41,42)43/h4-24H,1-3H3.
What are the key properties of 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine?
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine has a molecular weight of 625.69 g/mol, XLogP of 11.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine is sourced from PubChem (CID 23593276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).