3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C85H56N4S — CID 167352736

IUPAC3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)sc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c21
InChIInChI=1S/C85H56N4S/c1-85(2)72-28-14-9-27-67(72)81-82(85)84(54-35-43-62(44-36-54)89-76-32-18-13-26-66(76)71-52-58(40-48-80(71)89)56-38-46-78-69(50-56)64-24-11-16-30-74(64)87(78)60-21-7-4-8-22-60)90-83(81)53-33-41-61(42-34-53)88-75-31-17-12-25-65(75)70-51-57(39-47-79(70)88)55-37-45-77-68(49-55)63-23-10-15-29-73(63)86(77)59-19-5-3-6-20-59/h3-52H,1-2H3
InChIKeyQSXDDCSRPTUACS-UHFFFAOYSA-N
MW1165.48 g/mol
LogP23.11
Rot. Bonds8

About 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 167352736) has the molecular formula C85H56N4S and a molecular weight of 1165.48 g/mol. Its IUPAC name is 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID167352736
Molecular FormulaC85H56N4S
Molecular Weight1165.48 g/mol
Exact Mass1164.42
IUPAC Name3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)sc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c21
InChIInChI=1S/C85H56N4S/c1-85(2)72-28-14-9-27-67(72)81-82(85)84(54-35-43-62(44-36-54)89-76-32-18-13-26-66(76)71-52-58(40-48-80(71)89)56-38-46-78-69(50-56)64-24-11-16-30-74(64)87(78)60-21-7-4-8-22-60)90-83(81)53-33-41-61(42-34-53)88-75-31-17-12-25-65(75)70-51-57(39-47-79(70)88)55-37-45-77-68(49-55)63-23-10-15-29-73(63)86(77)59-19-5-3-6-20-59/h3-52H,1-2H3
InChIKeyQSXDDCSRPTUACS-UHFFFAOYSA-N
XLogP23.11
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.48
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
25-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9,9-dimethyl-21-phenyl-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 118634488
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 160932250
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 167352736) is 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)sc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c21.
What is the InChIKey of 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is QSXDDCSRPTUACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N4S/c1-85(2)72-28-14-9-27-67(72)81-82(85)84(54-35-43-62(44-36-54)89-76-32-18-13-26-66(76)71-52-58(40-48-80(71)89)56-38-46-78-69(50-56)64-24-11-16-30-74(64)87(78)60-21-7-4-8-22-60)90-83(81)53-33-41-61(42-34-53)88-75-31-17-12-25-65(75)70-51-57(39-47-79(70)88)55-37-45-77-68(49-55)63-23-10-15-29-73(63)86(77)59-19-5-3-6-20-59/h3-52H,1-2H3.
What are the key properties of 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1165.48 g/mol, XLogP of 23.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[4,4-dimethyl-1-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]indeno[1,2-c]thiophen-3-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 167352736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).