2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole

C220H131F15N14 — CID 162161860

IUPAC2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole
SMILESC.Cc1c(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.Cc1c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cc1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2ccccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/2C85H49F5N6.C49H29F5N2.CH4/c1-48-66(95-75-39-34-49(91-67-26-10-2-18-53(67)54-19-3-11-27-68(54)91)44-62(75)63-45-50(35-40-76(63)95)92-69-28-12-4-20-55(69)56-21-5-13-29-70(56)92)43-38-61(79-80(86)82(88)84(90)83(89)81(79)87)85(48)96-77-41-36-51(93-71-30-14-6-22-57(71)58-23-7-15-31-72(58)93)46-64(77)65-47-52(37-42-78(65)96)94-73-32-16-8-24-59(73)60-25-9-17-33-74(60)94;1-48-66(95-75-44-49(91-67-26-10-2-18-53(67)54-19-3-11-27-68(54)91)34-38-61(75)62-39-35-50(45-76(62)95)92-69-28-12-4-20-55(69)56-21-5-13-29-70(56)92)43-42-65(79-80(86)82(88)84(90)83(89)81(79)87)85(48)96-77-46-51(93-71-30-14-6-22-57(71)58-23-7-15-31-72(58)93)36-40-63(77)64-41-37-52(47-78(64)96)94-73-32-16-8-24-59(73)60-25-9-17-33-74(60)94;1-28-38(55-39-18-10-8-16-33(39)35-22-20-31(26-41(35)55)29-12-4-2-5-13-29)25-24-37(43-44(50)46(52)48(54)47(53)45(43)51)49(28)56-40-19-11-9-17-34(40)36-23-21-32(27-42(36)56)30-14-6-3-7-15-30;/h2*2-47H,1H3;2-27H,1H3;1H4
InChIKeyZMOZNSVTYOBAQW-UHFFFAOYSA-N
MW3255.54 g/mol
LogP60.40
Rot. Bonds19

About 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole

2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole (PubChem CID 162161860) has the molecular formula C220H131F15N14 and a molecular weight of 3255.54 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole
PubChem CID162161860
Molecular FormulaC220H131F15N14
Molecular Weight3255.54 g/mol
Exact Mass3253.04
IUPAC Name2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole
SMILESC.Cc1c(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.Cc1c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cc1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2ccccc2c2ccc(-c3ccccc3)cc21
InChIInChI=1S/2C85H49F5N6.C49H29F5N2.CH4/c1-48-66(95-75-39-34-49(91-67-26-10-2-18-53(67)54-19-3-11-27-68(54)91)44-62(75)63-45-50(35-40-76(63)95)92-69-28-12-4-20-55(69)56-21-5-13-29-70(56)92)43-38-61(79-80(86)82(88)84(90)83(89)81(79)87)85(48)96-77-41-36-51(93-71-30-14-6-22-57(71)58-23-7-15-31-72(58)93)46-64(77)65-47-52(37-42-78(65)96)94-73-32-16-8-24-59(73)60-25-9-17-33-74(60)94;1-48-66(95-75-44-49(91-67-26-10-2-18-53(67)54-19-3-11-27-68(54)91)34-38-61(75)62-39-35-50(45-76(62)95)92-69-28-12-4-20-55(69)56-21-5-13-29-70(56)92)43-42-65(79-80(86)82(88)84(90)83(89)81(79)87)85(48)96-77-46-51(93-71-30-14-6-22-57(71)58-23-7-15-31-72(58)93)36-40-63(77)64-41-37-52(47-78(64)96)94-73-32-16-8-24-59(73)60-25-9-17-33-74(60)94;1-28-38(55-39-18-10-8-16-33(39)35-22-20-31(26-41(35)55)29-12-4-2-5-13-29)25-24-37(43-44(50)46(52)48(54)47(53)45(43)51)49(28)56-40-19-11-9-17-34(40)36-23-21-32(27-42(36)56)30-14-6-3-7-15-30;/h2*2-47H,1H3;2-27H,1H3;1H4
InChIKeyZMOZNSVTYOBAQW-UHFFFAOYSA-N
XLogP60.40
TPSA69.02 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003255.54
LogP ≤ 560.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole with MolForge

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Related Compounds

3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
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
3-[2,4-bis(3-carbazol-9-ylcarbazol-9-yl)-3-methylphenyl]benzonitrile
CID 157387671
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-3-methylcarbazole
CID 158882715
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole
CID 154960404
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole?
The IUPAC name of 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole (CID 162161860) is 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole.
What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole?
The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole is C.Cc1c(-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2cc(-n3c4ccccc4c4ccccc43)ccc2c2ccc(-n3c4ccccc4c4ccccc43)cc21.Cc1c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cc1c(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)ccc(-c2c(F)c(F)c(F)c(F)c2F)c1-n1c2ccccc2c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole?
The InChIKey is ZMOZNSVTYOBAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C85H49F5N6.C49H29F5N2.CH4/c1-48-66(95-75-39-34-49(91-67-26-10-2-18-53(67)54-19-3-11-27-68(54)91)44-62(75)63-45-50(35-40-76(63)95)92-69-28-12-4-20-55(69)56-21-5-13-29-70(56)92)43-38-61(79-80(86)82(88)84(90)83(89)81(79)87)85(48)96-77-41-36-51(93-71-30-14-6-22-57(71)58-23-7-15-31-72(58)93)46-64(77)65-47-52(37-42-78(65)96)94-73-32-16-8-24-59(73)60-25-9-17-33-74(60)94;1-48-66(95-75-44-49(91-67-26-10-2-18-53(67)54-19-3-11-27-68(54)91)34-38-61(75)62-39-35-50(45-76(62)95)92-69-28-12-4-20-55(69)56-21-5-13-29-70(56)92)43-42-65(79-80(86)82(88)84(90)83(89)81(79)87)85(48)96-77-46-51(93-71-30-14-6-22-57(71)58-23-7-15-31-72(58)93)36-40-63(77)64-41-37-52(47-78(64)96)94-73-32-16-8-24-59(73)60-25-9-17-33-74(60)94;1-28-38(55-39-18-10-8-16-33(39)35-22-20-31(26-41(35)55)29-12-4-2-5-13-29)25-24-37(43-44(50)46(52)48(54)47(53)45(43)51)49(28)56-40-19-11-9-17-34(40)36-23-21-32(27-42(36)56)30-14-6-3-7-15-30;/h2*2-47H,1H3;2-27H,1H3;1H4.
What are the key properties of 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole?
2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole has a molecular weight of 3255.54 g/mol, XLogP of 60.40, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole is sourced from PubChem (CID 162161860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).