9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole

C64H50N2O4S2 — CID 169408871

IUPAC9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2ccc(-c3cc4ccc3CCc3ccc(c(-c5ccc(-c6ccc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)cc6)s5)c3)CC4)s2)cc1
InChIInChI=1S/C64H50N2O4S2/c1-67-47-21-25-57-53(35-47)54-36-48(68-2)22-26-58(54)65(57)45-17-13-43(14-18-45)61-29-31-63(71-61)51-33-39-5-9-41(51)11-7-40-6-10-42(12-8-39)52(34-40)64-32-30-62(72-64)44-15-19-46(20-16-44)66-59-27-23-49(69-3)37-55(59)56-38-50(70-4)24-28-60(56)66/h5-6,9-10,13-38H,7-8,11-12H2,1-4H3
InChIKeyZTMWUEFPXMDDBX-UHFFFAOYSA-N
MW975.25 g/mol
LogP16.59
Rot. Bonds10

About 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole

9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole (PubChem CID 169408871) has the molecular formula C64H50N2O4S2 and a molecular weight of 975.25 g/mol. Its IUPAC name is 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole
PubChem CID169408871
Molecular FormulaC64H50N2O4S2
Molecular Weight975.25 g/mol
Exact Mass974.32
IUPAC Name9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2ccc(-c3cc4ccc3CCc3ccc(c(-c5ccc(-c6ccc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)cc6)s5)c3)CC4)s2)cc1
InChIInChI=1S/C64H50N2O4S2/c1-67-47-21-25-57-53(35-47)54-36-48(68-2)22-26-58(54)65(57)45-17-13-43(14-18-45)61-29-31-63(71-61)51-33-39-5-9-41(51)11-7-40-6-10-42(12-8-39)52(34-40)64-32-30-62(72-64)44-15-19-46(20-16-44)66-59-27-23-49(69-3)37-55(59)56-38-50(70-4)24-28-60(56)66/h5-6,9-10,13-38H,7-8,11-12H2,1-4H3
InChIKeyZTMWUEFPXMDDBX-UHFFFAOYSA-N
XLogP16.59
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.25
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole with MolForge

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Related Compounds

9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
CID 169408875
2-methyl-5-[11-(5-methylthiophen-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophene
CID 101206627
CID 58536384
CID 58536384
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
9-methyl-3-[11-(9-methylcarbazol-3-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]carbazole
CID 135167845
4-[4-[tris[4-(3,6-dimethoxycarbazol-9-yl)phenyl]methyl]phenyl]benzonitrile
CID 122429682
2-[5-[4-(3,6-dihexoxycarbazol-9-yl)phenyl]thiophen-2-yl]-7-[5-[4-(3-hexoxy-6-pentoxycarbazol-9-yl)phenyl]thiophen-2-yl]fluoren-9-one
CID 171056028
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
CID 159778762
9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
CID 122683133
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole (CID 169408871) is 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2ccc(-c3cc4ccc3CCc3ccc(c(-c5ccc(-c6ccc(-n7c8ccc(OC)cc8c8cc(OC)ccc87)cc6)s5)c3)CC4)s2)cc1.
What is the InChIKey of 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole?
The InChIKey is ZTMWUEFPXMDDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N2O4S2/c1-67-47-21-25-57-53(35-47)54-36-48(68-2)22-26-58(54)65(57)45-17-13-43(14-18-45)61-29-31-63(71-61)51-33-39-5-9-41(51)11-7-40-6-10-42(12-8-39)52(34-40)64-32-30-62(72-64)44-15-19-46(20-16-44)66-59-27-23-49(69-3)37-55(59)56-38-50(70-4)24-28-60(56)66/h5-6,9-10,13-38H,7-8,11-12H2,1-4H3.
What are the key properties of 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole?
9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole has a molecular weight of 975.25 g/mol, XLogP of 16.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[11-[5-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 169408871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).