9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole

C70H43F12N3S2 — CID 58960685

IUPAC9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1c(-c2cc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3)cc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3)c2)sc(-c2sc(-n3c4ccccc4c4ccccc43)c(C)c2C)c1C
InChIInChI=1S/C70H43F12N3S2/c1-36-37(2)64(65-38(3)39(4)66(87-65)85-57-11-7-5-9-51(57)52-10-6-8-12-58(52)85)86-63(36)44-30-42(40-13-21-49(22-14-40)83-59-25-17-45(67(71,72)73)32-53(59)54-33-46(68(74,75)76)18-26-60(54)83)29-43(31-44)41-15-23-50(24-16-41)84-61-27-19-47(69(77,78)79)34-55(61)56-35-48(70(80,81)82)20-28-62(56)84/h5-35H,1-4H3
InChIKeyVCOMPMSZDXJCPL-UHFFFAOYSA-N
MW1218.24 g/mol
LogP23.08
Rot. Bonds7

About 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 58960685) has the molecular formula C70H43F12N3S2 and a molecular weight of 1218.24 g/mol. Its IUPAC name is 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID58960685
Molecular FormulaC70H43F12N3S2
Molecular Weight1218.24 g/mol
Exact Mass1217.27
IUPAC Name9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESCc1c(-c2cc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3)cc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3)c2)sc(-c2sc(-n3c4ccccc4c4ccccc43)c(C)c2C)c1C
InChIInChI=1S/C70H43F12N3S2/c1-36-37(2)64(65-38(3)39(4)66(87-65)85-57-11-7-5-9-51(57)52-10-6-8-12-58(52)85)86-63(36)44-30-42(40-13-21-49(22-14-40)83-59-25-17-45(67(71,72)73)32-53(59)54-33-46(68(74,75)76)18-26-60(54)83)29-43(31-44)41-15-23-50(24-16-41)84-61-27-19-47(69(77,78)79)34-55(61)56-35-48(70(80,81)82)20-28-62(56)84/h5-35H,1-4H3
InChIKeyVCOMPMSZDXJCPL-UHFFFAOYSA-N
XLogP23.08
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.24
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 58960685) is 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole is Cc1c(-c2cc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3)cc(-c3ccc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)cc3)c2)sc(-c2sc(-n3c4ccccc4c4ccccc43)c(C)c2C)c1C.
What is the InChIKey of 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is VCOMPMSZDXJCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43F12N3S2/c1-36-37(2)64(65-38(3)39(4)66(87-65)85-57-11-7-5-9-51(57)52-10-6-8-12-58(52)85)86-63(36)44-30-42(40-13-21-49(22-14-40)83-59-25-17-45(67(71,72)73)32-53(59)54-33-46(68(74,75)76)18-26-60(54)83)29-43(31-44)41-15-23-50(24-16-41)84-61-27-19-47(69(77,78)79)34-55(61)56-35-48(70(80,81)82)20-28-62(56)84/h5-35H,1-4H3.
What are the key properties of 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1218.24 g/mol, XLogP of 23.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-[5-(5-carbazol-9-yl-3,4-dimethylthiophen-2-yl)-3,4-dimethylthiophen-2-yl]phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 58960685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).