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

C50H33F3N2 — CID 161037605

IUPAC9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc1C(F)(F)F
InChIInChI=1S/C50H33F3N2/c1-32-20-23-37(54-46-18-10-8-16-39(46)41-25-21-35(28-48(41)54)33-12-4-2-5-13-33)30-43(32)44-31-38(24-27-45(44)50(51,52)53)55-47-19-11-9-17-40(47)42-26-22-36(29-49(42)55)34-14-6-3-7-15-34/h2-31H,1H3
InChIKeyHAQLDSPEWAGANX-UHFFFAOYSA-N
MW718.82 g/mol
LogP14.21
Rot. Bonds5

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

9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole (PubChem CID 161037605) has the molecular formula C50H33F3N2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
PubChem CID161037605
Molecular FormulaC50H33F3N2
Molecular Weight718.82 g/mol
Exact Mass718.26
IUPAC Name9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc1C(F)(F)F
InChIInChI=1S/C50H33F3N2/c1-32-20-23-37(54-46-18-10-8-16-39(46)41-25-21-35(28-48(41)54)33-12-4-2-5-13-33)30-43(32)44-31-38(24-27-45(44)50(51,52)53)55-47-19-11-9-17-40(47)42-26-22-36(29-49(42)55)34-14-6-3-7-15-34/h2-31H,1H3
InChIKeyHAQLDSPEWAGANX-UHFFFAOYSA-N
XLogP14.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
9-[4-methyl-3-[5-(3-methylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 158311741
2,7-di(carbazol-9-yl)-9-[5-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 138736236
2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 138750207
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 138486679
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 156509734
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 166669944

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole (CID 161037605) is 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole is Cc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1-c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc1C(F)(F)F.
What is the InChIKey of 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole?
The InChIKey is HAQLDSPEWAGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33F3N2/c1-32-20-23-37(54-46-18-10-8-16-39(46)41-25-21-35(28-48(41)54)33-12-4-2-5-13-33)30-43(32)44-31-38(24-27-45(44)50(51,52)53)55-47-19-11-9-17-40(47)42-26-22-36(29-49(42)55)34-14-6-3-7-15-34/h2-31H,1H3.
What are the key properties of 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole?
9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole has a molecular weight of 718.82 g/mol, XLogP of 14.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole is sourced from PubChem (CID 161037605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).