9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole

C49H29F5N2 — CID 153223414

IUPAC9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
SMILESFc1cc(F)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C49H29F5N2/c50-35-23-34(24-36(51)27-35)39-28-48(56-44-18-10-8-16-38(44)41-26-33(20-22-46(41)56)31-13-5-2-6-14-31)42(49(52,53)54)29-47(39)55-43-17-9-7-15-37(43)40-25-32(19-21-45(40)55)30-11-3-1-4-12-30/h1-29H
InChIKeyWOCXLNFGQZSEFY-UHFFFAOYSA-N
MW740.78 g/mol
LogP14.18
Rot. Bonds5

About 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole

9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole (PubChem CID 153223414) has the molecular formula C49H29F5N2 and a molecular weight of 740.78 g/mol. Its IUPAC name is 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
PubChem CID153223414
Molecular FormulaC49H29F5N2
Molecular Weight740.78 g/mol
Exact Mass740.23
IUPAC Name9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
SMILESFc1cc(F)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C49H29F5N2/c50-35-23-34(24-36(51)27-35)39-28-48(56-44-18-10-8-16-38(44)41-26-33(20-22-46(41)56)31-13-5-2-6-14-31)42(49(52,53)54)29-47(39)55-43-17-9-7-15-37(43)40-25-32(19-21-45(40)55)30-11-3-1-4-12-30/h1-29H
InChIKeyWOCXLNFGQZSEFY-UHFFFAOYSA-N
XLogP14.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.78
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(3,5-difluorophenyl)-4-(2,7-diphenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2,7-diphenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(2-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-phenylcarbazole;9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 158702120
3-[2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 142465777
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-(3,5-difluorophenyl)benzonitrile
CID 164743983
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
2-(3,5-difluorophenyl)-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 154959925
2-(2,6-diphenylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386339
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
4-(3,5-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 148646626
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole (CID 153223414) is 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole is Fc1cc(F)cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.
What is the InChIKey of 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole?
The InChIKey is WOCXLNFGQZSEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29F5N2/c50-35-23-34(24-36(51)27-35)39-28-48(56-44-18-10-8-16-38(44)41-26-33(20-22-46(41)56)31-13-5-2-6-14-31)42(49(52,53)54)29-47(39)55-43-17-9-7-15-37(43)40-25-32(19-21-45(40)55)30-11-3-1-4-12-30/h1-29H.
What are the key properties of 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole?
9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole has a molecular weight of 740.78 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,5-difluorophenyl)-4-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 153223414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).