9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole

C56H36N4 — CID 90209033

IUPAC9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3)n2)cc1
InChIInChI=1S/C56H36N4/c1-3-14-38(15-4-1)50-36-51(39-16-5-2-6-17-39)58-56(57-50)42-29-27-37-26-28-40(32-43(37)33-42)41-30-31-55-49(34-41)48-22-9-12-25-54(48)60(55)45-19-13-18-44(35-45)59-52-23-10-7-20-46(52)47-21-8-11-24-53(47)59/h1-36H
InChIKeyRYTZVOGSCTWTAB-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole

9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole (PubChem CID 90209033) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole
PubChem CID90209033
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3)n2)cc1
InChIInChI=1S/C56H36N4/c1-3-14-38(15-4-1)50-36-51(39-16-5-2-6-17-39)58-56(57-50)42-29-27-37-26-28-40(32-43(37)33-42)41-30-31-55-49(34-41)48-22-9-12-25-54(48)60(55)45-19-13-18-44(35-45)59-52-23-10-7-20-46(52)47-21-8-11-24-53(47)59/h1-36H
InChIKeyRYTZVOGSCTWTAB-UHFFFAOYSA-N
XLogP14.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
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-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
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
9-(3-carbazol-9-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole;9-(3-carbazol-9-ylphenyl)-3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)-3-[6-[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 157365272
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
9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464
3-[3-[4,6-bis(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209017
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 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole (CID 90209033) is 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4c3)n2)cc1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole?
The InChIKey is RYTZVOGSCTWTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-14-38(15-4-1)50-36-51(39-16-5-2-6-17-39)58-56(57-50)42-29-27-37-26-28-40(32-43(37)33-42)41-30-31-55-49(34-41)48-22-9-12-25-54(48)60(55)45-19-13-18-44(35-45)59-52-23-10-7-20-46(52)47-21-8-11-24-53(47)59/h1-36H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole?
9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole is sourced from PubChem (CID 90209033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).