9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole

C64H42N4 — CID 122627424

IUPAC9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)c7)ncn6)c5)c4)ccc32)cc1
InChIInChI=1S/C64H42N4/c1-3-23-53(24-4-1)67-61-29-9-7-27-55(61)57-39-49(31-33-63(57)67)45-17-11-15-43(35-45)47-19-13-21-51(37-47)59-41-60(66-42-65-59)52-22-14-20-48(38-52)44-16-12-18-46(36-44)50-32-34-64-58(40-50)56-28-8-10-30-62(56)68(64)54-25-5-2-6-26-54/h1-42H
InChIKeyDYSSASUOVMJRGK-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole

9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole (PubChem CID 122627424) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
PubChem CID122627424
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)c7)ncn6)c5)c4)ccc32)cc1
InChIInChI=1S/C64H42N4/c1-3-23-53(24-4-1)67-61-29-9-7-27-55(61)57-39-49(31-33-63(57)67)45-17-11-15-43(35-45)47-19-13-21-51(37-47)59-41-60(66-42-65-59)52-22-14-20-48(38-52)44-16-12-18-46(36-44)50-32-34-64-58(40-50)56-28-8-10-30-62(56)68(64)54-25-5-2-6-26-54/h1-42H
InChIKeyDYSSASUOVMJRGK-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole (CID 122627424) is 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cc(-c7cccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)c7)ncn6)c5)c4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
The InChIKey is DYSSASUOVMJRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-3-23-53(24-4-1)67-61-29-9-7-27-55(61)57-39-49(31-33-63(57)67)45-17-11-15-43(35-45)47-19-13-21-51(37-47)59-41-60(66-42-65-59)52-22-14-20-48(38-52)44-16-12-18-46(36-44)50-32-34-64-58(40-50)56-28-8-10-30-62(56)68(64)54-25-5-2-6-26-54/h1-42H.
What are the key properties of 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 122627424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).