9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole

C88H58N4 — CID 152630643

IUPAC9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C88H58N4/c1-9-25-59(26-10-1)69-45-49-80-74(53-69)75-54-70(60-27-11-2-12-28-60)46-50-81(75)91(80)87-85(67-43-41-63(42-44-67)73-57-78(64-33-17-5-18-34-64)89-79(58-73)65-35-19-6-20-36-65)84(66-37-21-7-22-38-66)86(68-39-23-8-24-40-68)90-88(87)92-82-51-47-71(61-29-13-3-14-30-61)55-76(82)77-56-72(48-52-83(77)92)62-31-15-4-16-32-62/h1-58H
InChIKeyZDLKXKIFDMYKJX-UHFFFAOYSA-N
MW1171.46 g/mol
LogP23.34
Rot. Bonds12

About 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole

9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 152630643) has the molecular formula C88H58N4 and a molecular weight of 1171.46 g/mol. Its IUPAC name is 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole
PubChem CID152630643
Molecular FormulaC88H58N4
Molecular Weight1171.46 g/mol
Exact Mass1170.47
IUPAC Name9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C88H58N4/c1-9-25-59(26-10-1)69-45-49-80-74(53-69)75-54-70(60-27-11-2-12-28-60)46-50-81(75)91(80)87-85(67-43-41-63(42-44-67)73-57-78(64-33-17-5-18-34-64)89-79(58-73)65-35-19-6-20-36-65)84(66-37-21-7-22-38-66)86(68-39-23-8-24-40-68)90-88(87)92-82-51-47-71(61-29-13-3-14-30-61)55-76(82)77-56-72(48-52-83(77)92)62-31-15-4-16-32-62/h1-58H
InChIKeyZDLKXKIFDMYKJX-UHFFFAOYSA-N
XLogP23.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.46
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-2-pyridinyl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-2-pyridinyl]carbazole;9-[3,5-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-2-pyridinyl]carbazole
CID 159400771
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
9-[3,6-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]-3,6-diphenylcarbazole
CID 142508353
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole (CID 152630643) is 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole?
The InChIKey is ZDLKXKIFDMYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H58N4/c1-9-25-59(26-10-1)69-45-49-80-74(53-69)75-54-70(60-27-11-2-12-28-60)46-50-81(75)91(80)87-85(67-43-41-63(42-44-67)73-57-78(64-33-17-5-18-34-64)89-79(58-73)65-35-19-6-20-36-65)84(66-37-21-7-22-38-66)86(68-39-23-8-24-40-68)90-88(87)92-82-51-47-71(61-29-13-3-14-30-61)55-76(82)77-56-72(48-52-83(77)92)62-31-15-4-16-32-62/h1-58H.
What are the key properties of 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole?
9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 1171.46 g/mol, XLogP of 23.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,6-diphenyl-3-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 152630643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).