9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole

C96H60N6 — CID 102341656

IUPAC9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C96H60N6/c1-13-37-85-73(25-1)74-26-2-14-38-86(74)97(85)67-52-64(53-68(58-67)98-87-39-15-3-27-75(87)76-28-4-16-40-88(76)98)61-49-62(65-54-69(99-89-41-17-5-29-77(89)78-30-6-18-42-90(78)99)59-70(55-65)100-91-43-19-7-31-79(91)80-32-8-20-44-92(80)100)51-63(50-61)66-56-71(101-93-45-21-9-33-81(93)82-34-10-22-46-94(82)101)60-72(57-66)102-95-47-23-11-35-83(95)84-36-12-24-48-96(84)102/h1-60H
InChIKeyKOIUNRMVWSDPLC-UHFFFAOYSA-N
MW1297.58 g/mol
LogP25.27
Rot. Bonds9

About 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole

9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole (PubChem CID 102341656) has the molecular formula C96H60N6 and a molecular weight of 1297.58 g/mol. Its IUPAC name is 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
PubChem CID102341656
Molecular FormulaC96H60N6
Molecular Weight1297.58 g/mol
Exact Mass1296.49
IUPAC Name9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C96H60N6/c1-13-37-85-73(25-1)74-26-2-14-38-86(74)97(85)67-52-64(53-68(58-67)98-87-39-15-3-27-75(87)76-28-4-16-40-88(76)98)61-49-62(65-54-69(99-89-41-17-5-29-77(89)78-30-6-18-42-90(78)99)59-70(55-65)100-91-43-19-7-31-79(91)80-32-8-20-44-92(80)100)51-63(50-61)66-56-71(101-93-45-21-9-33-81(93)82-34-10-22-46-94(82)101)60-72(57-66)102-95-47-23-11-35-83(95)84-36-12-24-48-96(84)102/h1-60H
InChIKeyKOIUNRMVWSDPLC-UHFFFAOYSA-N
XLogP25.27
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.58
LogP ≤ 525.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
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9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
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9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
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9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
CID 143348684
9-[3-carbazol-9-yl-5-(7-carbazol-9-yltriphenylen-2-yl)phenyl]carbazole
CID 88884836
9-[3-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 58693128
9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole (CID 102341656) is 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
The InChIKey is KOIUNRMVWSDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N6/c1-13-37-85-73(25-1)74-26-2-14-38-86(74)97(85)67-52-64(53-68(58-67)98-87-39-15-3-27-75(87)76-28-4-16-40-88(76)98)61-49-62(65-54-69(99-89-41-17-5-29-77(89)78-30-6-18-42-90(78)99)59-70(55-65)100-91-43-19-7-31-79(91)80-32-8-20-44-92(80)100)51-63(50-61)66-56-71(101-93-45-21-9-33-81(93)82-34-10-22-46-94(82)101)60-72(57-66)102-95-47-23-11-35-83(95)84-36-12-24-48-96(84)102/h1-60H.
What are the key properties of 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole?
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole has a molecular weight of 1297.58 g/mol, XLogP of 25.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 102341656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).