9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C58H43N3 — CID 163903365

IUPAC9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESCCCCc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H43N3/c1-2-3-14-39-23-29-46(30-24-39)61-57-33-27-42(40-25-31-55-49(35-40)47-19-10-12-21-53(47)59(55)44-15-6-4-7-16-44)37-51(57)52-38-43(28-34-58(52)61)41-26-32-56-50(36-41)48-20-11-13-22-54(48)60(56)45-17-8-5-9-18-45/h4-13,15-38H,2-3,14H2,1H3
InChIKeyQLUHMYKPTWPVGA-UHFFFAOYSA-N
MW782.00 g/mol
LogP15.65
Rot. Bonds8

About 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 163903365) has the molecular formula C58H43N3 and a molecular weight of 782.00 g/mol. Its IUPAC name is 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID163903365
Molecular FormulaC58H43N3
Molecular Weight782.00 g/mol
Exact Mass781.35
IUPAC Name9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESCCCCc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C58H43N3/c1-2-3-14-39-23-29-46(30-24-39)61-57-33-27-42(40-25-31-55-49(35-40)47-19-10-12-21-53(47)59(55)44-15-6-4-7-16-44)37-51(57)52-38-43(28-34-58(52)61)41-26-32-56-50(36-41)48-20-11-13-22-54(48)60(56)45-17-8-5-9-18-45/h4-13,15-38H,2-3,14H2,1H3
InChIKeyQLUHMYKPTWPVGA-UHFFFAOYSA-N
XLogP15.65
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504654
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513

Frequently Asked Questions

What is the IUPAC name of 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 163903365) is 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole is CCCCc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is QLUHMYKPTWPVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N3/c1-2-3-14-39-23-29-46(30-24-39)61-57-33-27-42(40-25-31-55-49(35-40)47-19-10-12-21-53(47)59(55)44-15-6-4-7-16-44)37-51(57)52-38-43(28-34-58(52)61)41-26-32-56-50(36-41)48-20-11-13-22-54(48)60(56)45-17-8-5-9-18-45/h4-13,15-38H,2-3,14H2,1H3.
What are the key properties of 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 782.00 g/mol, XLogP of 15.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 163903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).