3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole

C89H59N5 — CID 162172133

IUPAC3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1cccc(-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)c2)c1
InChIInChI=1S/C89H59N5/c1-58-87(62-30-13-5-14-31-62)90-89(63-32-15-6-16-33-63)91-88(58)68-35-21-34-67(50-68)74-40-23-43-85-86(74)76-39-18-20-42-81(76)93(85)72-37-22-36-71(57-72)92-83-47-44-64(59-24-7-2-8-25-59)54-78(83)79-56-66(46-49-84(79)92)65-45-48-82-77(55-65)75-38-17-19-41-80(75)94(82)73-52-69(60-26-9-3-10-27-60)51-70(53-73)61-28-11-4-12-29-61/h2-57H,1H3
InChIKeyZNXWMUFQJHCOGW-UHFFFAOYSA-N
MW1198.49 g/mol
LogP23.41
Rot. Bonds11

About 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole (PubChem CID 162172133) has the molecular formula C89H59N5 and a molecular weight of 1198.49 g/mol. Its IUPAC name is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole
PubChem CID162172133
Molecular FormulaC89H59N5
Molecular Weight1198.49 g/mol
Exact Mass1197.48
IUPAC Name3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1cccc(-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)c2)c1
InChIInChI=1S/C89H59N5/c1-58-87(62-30-13-5-14-31-62)90-89(63-32-15-6-16-33-63)91-88(58)68-35-21-34-67(50-68)74-40-23-43-85-86(74)76-39-18-20-42-81(76)93(85)72-37-22-36-71(57-72)92-83-47-44-64(59-24-7-2-8-25-59)54-78(83)79-56-66(46-49-84(79)92)65-45-48-82-77(55-65)75-38-17-19-41-80(75)94(82)73-52-69(60-26-9-3-10-27-60)51-70(53-73)61-28-11-4-12-29-61/h2-57H,1H3
InChIKeyZNXWMUFQJHCOGW-UHFFFAOYSA-N
XLogP23.41
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.49
LogP ≤ 523.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole with MolForge

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Related Compounds

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-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354
3-[9-[3-[5-methyl-4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144920561
2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
CID 158253323
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163783705
9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 142551202
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 161228080
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole?
The IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole (CID 162172133) is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole.
What is the SMILES notation for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole?
The canonical SMILES for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole is Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1cccc(-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)c2)c1.
What is the InChIKey of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole?
The InChIKey is ZNXWMUFQJHCOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H59N5/c1-58-87(62-30-13-5-14-31-62)90-89(63-32-15-6-16-33-63)91-88(58)68-35-21-34-67(50-68)74-40-23-43-85-86(74)76-39-18-20-42-81(76)93(85)72-37-22-36-71(57-72)92-83-47-44-64(59-24-7-2-8-25-59)54-78(83)79-56-66(46-49-84(79)92)65-45-48-82-77(55-65)75-38-17-19-41-80(75)94(82)73-52-69(60-26-9-3-10-27-60)51-70(53-73)61-28-11-4-12-29-61/h2-57H,1H3.
What are the key properties of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole?
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole has a molecular weight of 1198.49 g/mol, XLogP of 23.41, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[3-[4-[3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-6-phenylcarbazole is sourced from PubChem (CID 162172133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).