9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole

C57H38N6 — CID 142508357

IUPAC9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2nc(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C57H38N6/c1-3-19-37(20-4-1)46-36-47(38-21-5-2-6-22-38)59-56(58-46)45-35-54(61-48-29-13-7-23-39(48)40-24-8-14-30-49(40)61)60-57(63-52-33-17-11-27-43(52)44-28-12-18-34-53(44)63)55(45)62-50-31-15-9-25-41(50)42-26-10-16-32-51(42)62/h1-11,13-27,29-36H,12,28H2
InChIKeyPOFJILGXXQESND-UHFFFAOYSA-N
MW806.97 g/mol
LogP13.97
Rot. Bonds6

About 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole

9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole (PubChem CID 142508357) has the molecular formula C57H38N6 and a molecular weight of 806.97 g/mol. Its IUPAC name is 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole
PubChem CID142508357
Molecular FormulaC57H38N6
Molecular Weight806.97 g/mol
Exact Mass806.32
IUPAC Name9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2nc(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C57H38N6/c1-3-19-37(20-4-1)46-36-47(38-21-5-2-6-22-38)59-56(58-46)45-35-54(61-48-29-13-7-23-39(48)40-24-8-14-30-49(40)61)60-57(63-52-33-17-11-27-43(52)44-28-12-18-34-53(44)63)55(45)62-50-31-15-9-25-41(50)42-26-10-16-32-51(42)62/h1-11,13-27,29-36H,12,28H2
InChIKeyPOFJILGXXQESND-UHFFFAOYSA-N
XLogP13.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
9-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 174246903
9-[5-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-dihydrocarbazol-3-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 67950564
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]carbazole
CID 139456072
3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182

Frequently Asked Questions

What is the IUPAC name of 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole?
The IUPAC name of 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole (CID 142508357) is 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole is C1=Cc2c(c3ccccc3n2-c2nc(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole?
The InChIKey is POFJILGXXQESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N6/c1-3-19-37(20-4-1)46-36-47(38-21-5-2-6-22-38)59-56(58-46)45-35-54(61-48-29-13-7-23-39(48)40-24-8-14-30-49(40)61)60-57(63-52-33-17-11-27-43(52)44-28-12-18-34-53(44)63)55(45)62-50-31-15-9-25-41(50)42-26-10-16-32-51(42)62/h1-11,13-27,29-36H,12,28H2.
What are the key properties of 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole?
9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole has a molecular weight of 806.97 g/mol, XLogP of 13.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 142508357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).