3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole

C70H47N3 — CID 177079001

IUPAC3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6-c6ccccc6)c5)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C70H47N3/c1-6-20-48(21-7-1)50-36-38-51(39-37-50)65-47-66(72-70(71-65)53-26-12-4-13-27-53)58-31-19-29-55(43-58)54-28-18-30-56(42-54)62-45-59(49-22-8-2-9-23-49)46-63(69(62)52-24-10-3-11-25-52)57-40-41-68-64(44-57)61-34-16-17-35-67(61)73(68)60-32-14-5-15-33-60/h1-47H
InChIKeyPEEJPYKKOGYOPO-UHFFFAOYSA-N
MW930.17 g/mol
LogP18.58
Rot. Bonds10

About 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole

3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 177079001) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID177079001
Molecular FormulaC70H47N3
Molecular Weight930.17 g/mol
Exact Mass929.38
IUPAC Name3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6-c6ccccc6)c5)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C70H47N3/c1-6-20-48(21-7-1)50-36-38-51(39-37-50)65-47-66(72-70(71-65)53-26-12-4-13-27-53)58-31-19-29-55(43-58)54-28-18-30-56(42-54)62-45-59(49-22-8-2-9-23-49)46-63(69(62)52-24-10-3-11-25-52)57-40-41-68-64(44-57)61-34-16-17-35-67(61)73(68)60-32-14-5-15-33-60/h1-47H
InChIKeyPEEJPYKKOGYOPO-UHFFFAOYSA-N
XLogP18.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.17
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,6-diphenylpyrimidin-4-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079032
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079103
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]-9-phenylcarbazole
CID 177079188
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
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-[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-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 177079001) is 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6-c6ccccc6)c5)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is PEEJPYKKOGYOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-6-20-48(21-7-1)50-36-38-51(39-37-50)65-47-66(72-70(71-65)53-26-12-4-13-27-53)58-31-19-29-55(43-58)54-28-18-30-56(42-54)62-45-59(49-22-8-2-9-23-49)46-63(69(62)52-24-10-3-11-25-52)57-40-41-68-64(44-57)61-34-16-17-35-67(61)73(68)60-32-14-5-15-33-60/h1-47H.
What are the key properties of 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole?
3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 930.17 g/mol, XLogP of 18.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 177079001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).