2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole

C84H54N4 — CID 59858750

IUPAC2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc32)cc1
InChIInChI=1S/C84H54N4/c1-5-21-65(22-6-1)85-77-33-17-13-29-69(77)73-41-37-55(51-81(73)85)59-45-60(56-38-42-74-70-30-14-18-34-78(70)86(82(74)52-56)66-23-7-2-8-24-66)48-63(47-59)64-49-61(57-39-43-75-71-31-15-19-35-79(71)87(83(75)53-57)67-25-9-3-10-26-67)46-62(50-64)58-40-44-76-72-32-16-20-36-80(72)88(84(76)54-58)68-27-11-4-12-28-68/h1-54H
InChIKeyBFWHHSZHGFVURC-UHFFFAOYSA-N
MW1119.38 g/mol
LogP22.41
Rot. Bonds9

About 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole

2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 59858750) has the molecular formula C84H54N4 and a molecular weight of 1119.38 g/mol. Its IUPAC name is 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
PubChem CID59858750
Molecular FormulaC84H54N4
Molecular Weight1119.38 g/mol
Exact Mass1118.43
IUPAC Name2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc32)cc1
InChIInChI=1S/C84H54N4/c1-5-21-65(22-6-1)85-77-33-17-13-29-69(77)73-41-37-55(51-81(73)85)59-45-60(56-38-42-74-70-30-14-18-34-78(70)86(82(74)52-56)66-23-7-2-8-24-66)48-63(47-59)64-49-61(57-39-43-75-71-31-15-19-35-79(71)87(83(75)53-57)67-25-9-3-10-26-67)46-62(50-64)58-40-44-76-72-32-16-20-36-80(72)88(84(76)54-58)68-27-11-4-12-28-68/h1-54H
InChIKeyBFWHHSZHGFVURC-UHFFFAOYSA-N
XLogP22.41
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.38
LogP ≤ 522.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole (CID 59858750) is 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)cc32)cc1.
What is the InChIKey of 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is BFWHHSZHGFVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4/c1-5-21-65(22-6-1)85-77-33-17-13-29-69(77)73-41-37-55(51-81(73)85)59-45-60(56-38-42-74-70-30-14-18-34-78(70)86(82(74)52-56)66-23-7-2-8-24-66)48-63(47-59)64-49-61(57-39-43-75-71-31-15-19-35-79(71)87(83(75)53-57)67-25-9-3-10-26-67)46-62(50-64)58-40-44-76-72-32-16-20-36-80(72)88(84(76)54-58)68-27-11-4-12-28-68/h1-54H.
What are the key properties of 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole?
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 1119.38 g/mol, XLogP of 22.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 59858750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).