9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole

C88H55N5S — CID 154938925

IUPAC9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5sc6ccc(-c7ccc8c(c7)c7cc(-c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc7n8-c7ccccc7)cc6c5c4)n3)c2)cc1
InChIInChI=1S/C88H55N5S/c1-6-21-56(22-7-1)58-25-20-26-63(47-58)78-55-77(57-23-8-2-9-24-57)89-88(90-78)64-41-46-86-76(52-64)75-50-60(40-45-85(75)94-86)59-37-42-82-73(48-59)74-49-61(38-43-83(74)92(82)67-29-12-4-13-30-67)65-53-71(87-70-34-17-19-36-80(70)93(84(87)54-65)68-31-14-5-15-32-68)62-39-44-81-72(51-62)69-33-16-18-35-79(69)91(81)66-27-10-3-11-28-66/h1-55H
InChIKeyRJNQRQMKJPCOOO-UHFFFAOYSA-N
MW1214.51 g/mol
LogP23.80
Rot. Bonds10

About 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole

9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 154938925) has the molecular formula C88H55N5S and a molecular weight of 1214.51 g/mol. Its IUPAC name is 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
PubChem CID154938925
Molecular FormulaC88H55N5S
Molecular Weight1214.51 g/mol
Exact Mass1213.42
IUPAC Name9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5sc6ccc(-c7ccc8c(c7)c7cc(-c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc7n8-c7ccccc7)cc6c5c4)n3)c2)cc1
InChIInChI=1S/C88H55N5S/c1-6-21-56(22-7-1)58-25-20-26-63(47-58)78-55-77(57-23-8-2-9-24-57)89-88(90-78)64-41-46-86-76(52-64)75-50-60(40-45-85(75)94-86)59-37-42-82-73(48-59)74-49-61(38-43-83(74)92(82)67-29-12-4-13-30-67)65-53-71(87-70-34-17-19-36-80(70)93(84(87)54-65)68-31-14-5-15-32-68)62-39-44-81-72(51-62)69-33-16-18-35-79(69)91(81)66-27-10-3-11-28-66/h1-55H
InChIKeyRJNQRQMKJPCOOO-UHFFFAOYSA-N
XLogP23.80
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.51
LogP ≤ 523.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 162775169
3-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;methane
CID 161295747
4-[3-(10-dibenzothiophen-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-phenylcarbazole
CID 157091927
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 177079001
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 155203330
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164
3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160972461

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole (CID 154938925) is 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5sc6ccc(-c7ccc8c(c7)c7cc(-c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc7n8-c7ccccc7)cc6c5c4)n3)c2)cc1.
What is the InChIKey of 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is RJNQRQMKJPCOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H55N5S/c1-6-21-56(22-7-1)58-25-20-26-63(47-58)78-55-77(57-23-8-2-9-24-57)89-88(90-78)64-41-46-86-76(52-64)75-50-60(40-45-85(75)94-86)59-37-42-82-73(48-59)74-49-61(38-43-83(74)92(82)67-29-12-4-13-30-67)65-53-71(87-70-34-17-19-36-80(70)93(84(87)54-65)68-31-14-5-15-32-68)62-39-44-81-72(51-62)69-33-16-18-35-79(69)91(81)66-27-10-3-11-28-66/h1-55H.
What are the key properties of 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole?
9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 1214.51 g/mol, XLogP of 23.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 154938925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).