9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole

C72H46N4 — CID 126503545

IUPAC9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C72H46N4/c1-5-19-52(20-6-1)73-65-30-16-13-27-56(65)60-41-47(33-37-68(60)73)48-34-39-71-63(42-48)64-46-51(49-35-38-69-61(43-49)57-28-14-17-31-66(57)74(69)53-21-7-2-8-22-53)45-59(72(64)76(71)55-25-11-4-12-26-55)50-36-40-70-62(44-50)58-29-15-18-32-67(58)75(70)54-23-9-3-10-24-54/h1-46H
InChIKeyXWWNJDHDDQNHFW-UHFFFAOYSA-N
MW967.19 g/mol
LogP19.08
Rot. Bonds7

About 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole

9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126503545) has the molecular formula C72H46N4 and a molecular weight of 967.19 g/mol. Its IUPAC name is 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
PubChem CID126503545
Molecular FormulaC72H46N4
Molecular Weight967.19 g/mol
Exact Mass966.37
IUPAC Name9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C72H46N4/c1-5-19-52(20-6-1)73-65-30-16-13-27-56(65)60-41-47(33-37-68(60)73)48-34-39-71-63(42-48)64-46-51(49-35-38-69-61(43-49)57-28-14-17-31-66(57)74(69)53-21-7-2-8-22-53)45-59(72(64)76(71)55-25-11-4-12-26-55)50-36-40-70-62(44-50)58-29-15-18-32-67(58)75(70)54-23-9-3-10-24-54/h1-46H
InChIKeyXWWNJDHDDQNHFW-UHFFFAOYSA-N
XLogP19.08
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.19
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
1-(2,6-diisocyanophenyl)-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 140877419
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole (CID 126503545) is 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is XWWNJDHDDQNHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N4/c1-5-19-52(20-6-1)73-65-30-16-13-27-56(65)60-41-47(33-37-68(60)73)48-34-39-71-63(42-48)64-46-51(49-35-38-69-61(43-49)57-28-14-17-31-66(57)74(69)53-21-7-2-8-22-53)45-59(72(64)76(71)55-25-11-4-12-26-55)50-36-40-70-62(44-50)58-29-15-18-32-67(58)75(70)54-23-9-3-10-24-54/h1-46H.
What are the key properties of 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole?
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 967.19 g/mol, XLogP of 19.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126503545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).