1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole

C53H33N5 — CID 154262736

IUPAC1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cc(-c4cccc5c4[nH]c4ccccc45)c(-c4cccc5c4[nH]c4ccccc45)c(-c4cccc5c4[nH]c4ccccc45)n3)cccc12
InChIInChI=1S/C53H33N5/c1-5-25-43-30(13-1)34-17-9-21-38(49(34)54-43)42-29-47(39-22-10-18-35-31-14-2-6-26-44(31)55-50(35)39)58-53(41-24-12-20-37-33-16-4-8-28-46(33)57-52(37)41)48(42)40-23-11-19-36-32-15-3-7-27-45(32)56-51(36)40/h1-29,54-57H
InChIKeyXWNRECDADRVBJV-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.29
Rot. Bonds4

About 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole

1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole (PubChem CID 154262736) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole.

Molecular Properties

Compound Name1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
PubChem CID154262736
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cc(-c4cccc5c4[nH]c4ccccc45)c(-c4cccc5c4[nH]c4ccccc45)c(-c4cccc5c4[nH]c4ccccc45)n3)cccc12
InChIInChI=1S/C53H33N5/c1-5-25-43-30(13-1)34-17-9-21-38(49(34)54-43)42-29-47(39-22-10-18-35-31-14-2-6-26-44(31)55-50(35)39)58-53(41-24-12-20-37-33-16-4-8-28-46(33)57-52(37)41)48(42)40-23-11-19-36-32-15-3-7-27-45(32)56-51(36)40/h1-29,54-57H
InChIKeyXWNRECDADRVBJV-UHFFFAOYSA-N
XLogP14.29
TPSA76.05 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
1-[4-(9H-carbazol-1-yl)triazin-5-yl]-9H-carbazole
CID 118037607
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
2,20-bis(4-bromophenyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene
CID 136688369
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
3-(9H-carbazol-1-yl)aniline
CID 67501137
2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
CID 141226515
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
1-pyrimidin-4-yl-9H-carbazole
CID 142468899

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole?
The IUPAC name of 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole (CID 154262736) is 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole.
What is the SMILES notation for 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole?
The canonical SMILES for 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole is c1ccc2c(c1)[nH]c1c(-c3cc(-c4cccc5c4[nH]c4ccccc45)c(-c4cccc5c4[nH]c4ccccc45)c(-c4cccc5c4[nH]c4ccccc45)n3)cccc12.
What is the InChIKey of 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole?
The InChIKey is XWNRECDADRVBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-5-25-43-30(13-1)34-17-9-21-38(49(34)54-43)42-29-47(39-22-10-18-35-31-14-2-6-26-44(31)55-50(35)39)58-53(41-24-12-20-37-33-16-4-8-28-46(33)57-52(37)41)48(42)40-23-11-19-36-32-15-3-7-27-45(32)56-51(36)40/h1-29,54-57H.
What are the key properties of 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole?
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.29, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole is sourced from PubChem (CID 154262736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).