3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole

C63H41N5 — CID 144573716

IUPAC3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C63H41N5/c1-5-18-42(19-6-1)49-39-55(43-20-7-2-8-21-43)64-56(40-49)48-33-35-62-54(38-48)53-37-47(46-26-17-27-50(36-46)67-59-30-15-13-28-51(59)52-29-14-16-31-60(52)67)32-34-61(53)68(62)63-65-57(44-22-9-3-10-23-44)41-58(66-63)45-24-11-4-12-25-45/h1-41H
InChIKeyBBVXMPUZTJNUPD-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

About 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole

3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole (PubChem CID 144573716) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
PubChem CID144573716
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C63H41N5/c1-5-18-42(19-6-1)49-39-55(43-20-7-2-8-21-43)64-56(40-49)48-33-35-62-54(38-48)53-37-47(46-26-17-27-50(36-46)67-59-30-15-13-28-51(59)52-29-14-16-31-60(52)67)32-34-61(53)68(62)63-65-57(44-22-9-3-10-23-44)41-58(66-63)45-24-11-4-12-25-45/h1-41H
InChIKeyBBVXMPUZTJNUPD-UHFFFAOYSA-N
XLogP16.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144573714
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
3-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-[4-[3-[3-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
CID 134237041
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815
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-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
4-[2-[3-[9-[4-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 118259418
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The IUPAC name of 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole (CID 144573716) is 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole.
What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc3n4-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The InChIKey is BBVXMPUZTJNUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-5-18-42(19-6-1)49-39-55(43-20-7-2-8-21-43)64-56(40-49)48-33-35-62-54(38-48)53-37-47(46-26-17-27-50(36-46)67-59-30-15-13-28-51(59)52-29-14-16-31-60(52)67)32-34-61(53)68(62)63-65-57(44-22-9-3-10-23-44)41-58(66-63)45-24-11-4-12-25-45/h1-41H.
What are the key properties of 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole is sourced from PubChem (CID 144573716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).