4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C56H45N3O2 — CID 118179758

IUPAC4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCCCCCCn1c2ccccc2c2cc(-c3cc(OC)c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3OC)ccc21
InChIInChI=1S/C56H45N3O2/c1-4-5-6-13-29-57-48-20-10-7-16-39(48)46-30-35(23-27-49(46)57)44-33-55(61-3)45(34-54(44)60-2)36-24-28-52-47(31-36)40-17-9-11-21-50(40)58(52)37-25-26-41-43-19-14-18-42-38-15-8-12-22-51(38)59(56(42)43)53(41)32-37/h7-12,14-28,30-34H,4-6,13,29H2,1-3H3
InChIKeyGYZIQOKGOZJLRD-UHFFFAOYSA-N
MW792.00 g/mol
LogP14.97
Rot. Bonds10

About 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 118179758) has the molecular formula C56H45N3O2 and a molecular weight of 792.00 g/mol. Its IUPAC name is 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID118179758
Molecular FormulaC56H45N3O2
Molecular Weight792.00 g/mol
Exact Mass791.35
IUPAC Name4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCCCCCCn1c2ccccc2c2cc(-c3cc(OC)c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3OC)ccc21
InChIInChI=1S/C56H45N3O2/c1-4-5-6-13-29-57-48-20-10-7-16-39(48)46-30-35(23-27-49(46)57)44-33-55(61-3)45(34-54(44)60-2)36-24-28-52-47(31-36)40-17-9-11-21-50(40)58(52)37-25-26-41-43-19-14-18-42-38-15-8-12-22-51(38)59(56(42)43)53(41)32-37/h7-12,14-28,30-34H,4-6,13,29H2,1-3H3
InChIKeyGYZIQOKGOZJLRD-UHFFFAOYSA-N
XLogP14.97
TPSA32.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179732
4-[3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179746
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422800
4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179695
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179751
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;2,7-dimethyl-9-octylcarbazole
CID 157404035
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179725
3-naphthalen-1-yl-9-[6-(3-naphthalen-1-ylcarbazol-9-yl)hexyl]carbazole
CID 102196206
2-methoxy-9-octylcarbazol-3-amine
CID 14114866

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 118179758) is 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is CCCCCCn1c2ccccc2c2cc(-c3cc(OC)c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6cccc7c8ccccc8n(c5c4)c76)cc3OC)ccc21.
What is the InChIKey of 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is GYZIQOKGOZJLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N3O2/c1-4-5-6-13-29-57-48-20-10-7-16-39(48)46-30-35(23-27-49(46)57)44-33-55(61-3)45(34-54(44)60-2)36-24-28-52-47(31-36)40-17-9-11-21-50(40)58(52)37-25-26-41-43-19-14-18-42-38-15-8-12-22-51(38)59(56(42)43)53(41)32-37/h7-12,14-28,30-34H,4-6,13,29H2,1-3H3.
What are the key properties of 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 792.00 g/mol, XLogP of 14.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(9-hexylcarbazol-3-yl)-2,5-dimethoxyphenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 118179758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).