7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole

C47H34F3N5 — CID 176643504

IUPAC7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole
SMILESCc1ccnc(-n2c3cc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)ccc3c3c(C(F)(F)F)cc(C(C)C)cc32)c1
InChIInChI=1S/C47H34F3N5/c1-27(2)30-24-37(47(48,49)50)43-35-20-19-29(25-40(35)55(41(43)26-30)42-23-28(3)21-22-51-42)32-14-10-18-39-45(32)53-46(54(39)31-11-5-4-6-12-31)36-16-9-15-34-33-13-7-8-17-38(33)52-44(34)36/h4-27,52H,1-3H3
InChIKeyPKYROWDCVDNZIM-UHFFFAOYSA-N
MW725.82 g/mol
LogP12.94
Rot. Bonds5

About 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole

7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole (PubChem CID 176643504) has the molecular formula C47H34F3N5 and a molecular weight of 725.82 g/mol. Its IUPAC name is 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole
PubChem CID176643504
Molecular FormulaC47H34F3N5
Molecular Weight725.82 g/mol
Exact Mass725.28
IUPAC Name7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole
SMILESCc1ccnc(-n2c3cc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)ccc3c3c(C(F)(F)F)cc(C(C)C)cc32)c1
InChIInChI=1S/C47H34F3N5/c1-27(2)30-24-37(47(48,49)50)43-35-20-19-29(25-40(35)55(41(43)26-30)42-23-28(3)21-22-51-42)32-14-10-18-39-45(32)53-46(54(39)31-11-5-4-6-12-31)36-16-9-15-34-33-13-7-8-17-38(33)52-44(34)36/h4-27,52H,1-3H3
InChIKeyPKYROWDCVDNZIM-UHFFFAOYSA-N
XLogP12.94
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.82
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
9-(4-tert-butyl-2-pyridinyl)-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-6-[2,6-di(propan-2-yl)phenyl]carbazole
CID 176642782
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
9-[1-(3-tert-butylphenyl)-2-(9H-carbazol-1-yl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
CID 176642476
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472

Frequently Asked Questions

What is the IUPAC name of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole?
The IUPAC name of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole (CID 176643504) is 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole.
What is the SMILES notation for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole?
The canonical SMILES for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole is Cc1ccnc(-n2c3cc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)ccc3c3c(C(F)(F)F)cc(C(C)C)cc32)c1.
What is the InChIKey of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole?
The InChIKey is PKYROWDCVDNZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34F3N5/c1-27(2)30-24-37(47(48,49)50)43-35-20-19-29(25-40(35)55(41(43)26-30)42-23-28(3)21-22-51-42)32-14-10-18-39-45(32)53-46(54(39)31-11-5-4-6-12-31)36-16-9-15-34-33-13-7-8-17-38(33)52-44(34)36/h4-27,52H,1-3H3.
What are the key properties of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole?
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole has a molecular weight of 725.82 g/mol, XLogP of 12.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole is sourced from PubChem (CID 176643504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).