3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole

C94H62N6 — CID 158283831

IUPAC3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C47H31N3/c1-4-16-32(17-5-1)40-30-35(31-41(48-40)33-18-6-2-7-19-33)50-43-27-13-11-23-39(43)47-37(25-15-29-45(47)50)36-24-14-28-44-46(36)38-22-10-12-26-42(38)49(44)34-20-8-3-9-21-34;1-4-14-32(15-5-1)42-30-37(31-43(48-42)33-16-6-2-7-17-33)50-45-23-13-11-21-39(45)41-29-35(25-27-47(41)50)34-24-26-46-40(28-34)38-20-10-12-22-44(38)49(46)36-18-8-3-9-19-36/h2*1-31H
InChIKeyGKNIOHKFEXOIFS-UHFFFAOYSA-N
MW1275.57 g/mol
LogP24.55
Rot. Bonds10

About 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole

3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole (PubChem CID 158283831) has the molecular formula C94H62N6 and a molecular weight of 1275.57 g/mol. Its IUPAC name is 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
PubChem CID158283831
Molecular FormulaC94H62N6
Molecular Weight1275.57 g/mol
Exact Mass1274.50
IUPAC Name3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C47H31N3/c1-4-16-32(17-5-1)40-30-35(31-41(48-40)33-18-6-2-7-19-33)50-43-27-13-11-23-39(43)47-37(25-15-29-45(47)50)36-24-14-28-44-46(36)38-22-10-12-26-42(38)49(44)34-20-8-3-9-21-34;1-4-14-32(15-5-1)42-30-37(31-43(48-42)33-16-6-2-7-17-33)50-45-23-13-11-21-39(45)41-29-35(25-27-47(41)50)34-24-26-46-40(28-34)38-20-10-12-22-44(38)49(46)36-18-8-3-9-19-36/h2*1-31H
InChIKeyGKNIOHKFEXOIFS-UHFFFAOYSA-N
XLogP24.55
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001275.57
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221841
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole (CID 158283831) is 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is GKNIOHKFEXOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H31N3/c1-4-16-32(17-5-1)40-30-35(31-41(48-40)33-18-6-2-7-19-33)50-43-27-13-11-23-39(43)47-37(25-15-29-45(47)50)36-24-14-28-44-46(36)38-22-10-12-26-42(38)49(44)34-20-8-3-9-21-34;1-4-14-32(15-5-1)42-30-37(31-43(48-42)33-16-6-2-7-17-33)50-45-23-13-11-21-39(45)41-29-35(25-27-47(41)50)34-24-26-46-40(28-34)38-20-10-12-22-44(38)49(46)36-18-8-3-9-19-36/h2*1-31H.
What are the key properties of 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole?
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 1275.57 g/mol, XLogP of 24.55, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 158283831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).