10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline

C62H38N4 — CID 118003234

IUPAC10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
SMILESc1cc(-c2cccc3ccc4cccnc4c23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6ccc7cccnc7c56)c4)ccc32)c1
InChIInChI=1S/C62H38N4/c1-3-23-55-51(19-1)53-37-43(29-31-57(53)65(55)47-17-5-13-45(35-47)49-21-7-11-39-25-27-41-15-9-33-63-61(41)59(39)49)44-30-32-58-54(38-44)52-20-2-4-24-56(52)66(58)48-18-6-14-46(36-48)50-22-8-12-40-26-28-42-16-10-34-64-62(42)60(40)50/h1-38H
InChIKeyLOLXDTPUZIQQGZ-UHFFFAOYSA-N
MW839.01 g/mol
LogP16.28
Rot. Bonds5

About 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline

10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline (PubChem CID 118003234) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
PubChem CID118003234
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
SMILESc1cc(-c2cccc3ccc4cccnc4c23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6ccc7cccnc7c56)c4)ccc32)c1
InChIInChI=1S/C62H38N4/c1-3-23-55-51(19-1)53-37-43(29-31-57(53)65(55)47-17-5-13-45(35-47)49-21-7-11-39-25-27-41-15-9-33-63-61(41)59(39)49)44-30-32-58-54(38-44)52-20-2-4-24-56(52)66(58)48-18-6-14-46(36-48)50-22-8-12-40-26-28-42-16-10-34-64-62(42)60(40)50/h1-38H
InChIKeyLOLXDTPUZIQQGZ-UHFFFAOYSA-N
XLogP16.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118003236
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
5-(6-benzo[h]quinolin-10-yl-9-phenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118003381
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
12-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326449
7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-(3,5-diphenylphenyl)-3-[8-[9-(3,5-diphenylphenyl)carbazol-3-yl]naphthalen-1-yl]carbazole
CID 169016186
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
3-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326206

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline?
The IUPAC name of 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline (CID 118003234) is 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline?
The canonical SMILES for 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline is c1cc(-c2cccc3ccc4cccnc4c23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6ccc7cccnc7c56)c4)ccc32)c1.
What is the InChIKey of 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline?
The InChIKey is LOLXDTPUZIQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-3-23-55-51(19-1)53-37-43(29-31-57(53)65(55)47-17-5-13-45(35-47)49-21-7-11-39-25-27-41-15-9-33-63-61(41)59(39)49)44-30-32-58-54(38-44)52-20-2-4-24-56(52)66(58)48-18-6-14-46(36-48)50-22-8-12-40-26-28-42-16-10-34-64-62(42)60(40)50/h1-38H.
What are the key properties of 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline?
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline has a molecular weight of 839.01 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 118003234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).