3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

C97H57F17N4 — CID 162150645

IUPAC3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H23F5N2.C35H24F5N.C24H10F7N/c1-20-17-22(32-33(39)35(41)37(43)36(42)34(32)40)18-21(2)38(20)45-30-14-8-5-11-26(30)27-19-23(15-16-31(27)45)44-28-12-6-3-9-24(28)25-10-4-7-13-29(25)44;1-17-13-19(28-29(36)31(38)33(40)32(39)30(28)37)14-18(2)34(17)41-26-12-8-6-10-21(26)23-15-22-20-9-5-7-11-24(20)35(3,4)25(22)16-27(23)41;25-14-9-11(18-19(27)21(29)23(31)22(30)20(18)28)10-15(26)24(14)32-16-7-3-1-5-12(16)13-6-2-4-8-17(13)32/h3-19H,1-2H3;5-16H,1-4H3;1-10H
InChIKeyZLDUWVZFGGKPAH-UHFFFAOYSA-N
MW1601.52 g/mol
LogP28.35
Rot. Bonds7

About 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 162150645) has the molecular formula C97H57F17N4 and a molecular weight of 1601.52 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID162150645
Molecular FormulaC97H57F17N4
Molecular Weight1601.52 g/mol
Exact Mass1600.43
IUPAC Name3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C38H23F5N2.C35H24F5N.C24H10F7N/c1-20-17-22(32-33(39)35(41)37(43)36(42)34(32)40)18-21(2)38(20)45-30-14-8-5-11-26(30)27-19-23(15-16-31(27)45)44-28-12-6-3-9-24(28)25-10-4-7-13-29(25)44;1-17-13-19(28-29(36)31(38)33(40)32(39)30(28)37)14-18(2)34(17)41-26-12-8-6-10-21(26)23-15-22-20-9-5-7-11-24(20)35(3,4)25(22)16-27(23)41;25-14-9-11(18-19(27)21(29)23(31)22(30)20(18)28)10-15(26)24(14)32-16-7-3-1-5-12(16)13-6-2-4-8-17(13)32/h3-19H,1-2H3;5-16H,1-4H3;1-10H
InChIKeyZLDUWVZFGGKPAH-UHFFFAOYSA-N
XLogP28.35
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001601.52
LogP ≤ 528.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole
CID 118013987
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 162150645) is 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(F)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is ZLDUWVZFGGKPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F5N2.C35H24F5N.C24H10F7N/c1-20-17-22(32-33(39)35(41)37(43)36(42)34(32)40)18-21(2)38(20)45-30-14-8-5-11-26(30)27-19-23(15-16-31(27)45)44-28-12-6-3-9-24(28)25-10-4-7-13-29(25)44;1-17-13-19(28-29(36)31(38)33(40)32(39)30(28)37)14-18(2)34(17)41-26-12-8-6-10-21(26)23-15-22-20-9-5-7-11-24(20)35(3,4)25(22)16-27(23)41;25-14-9-11(18-19(27)21(29)23(31)22(30)20(18)28)10-15(26)24(14)32-16-7-3-1-5-12(16)13-6-2-4-8-17(13)32/h3-19H,1-2H3;5-16H,1-4H3;1-10H.
What are the key properties of 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1601.52 g/mol, XLogP of 28.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;9-[2,6-difluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;5-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 162150645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).