9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole

C36H30N2O — CID 102040847

IUPAC9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole
SMILESC=CCCCCOc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H30N2O/c1-2-3-4-13-22-39-28-24-26(37-33-18-9-5-14-29(33)30-15-6-10-19-34(30)37)23-27(25-28)38-35-20-11-7-16-31(35)32-17-8-12-21-36(32)38/h2,5-12,14-21,23-25H,1,3-4,13,22H2
InChIKeyGBCIQCXVNZGRAA-UHFFFAOYSA-N
MW506.65 g/mol
LogP9.62
Rot. Bonds8

About 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole

9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole (PubChem CID 102040847) has the molecular formula C36H30N2O and a molecular weight of 506.65 g/mol. Its IUPAC name is 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole
PubChem CID102040847
Molecular FormulaC36H30N2O
Molecular Weight506.65 g/mol
Exact Mass506.24
IUPAC Name9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole
SMILESC=CCCCCOc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H30N2O/c1-2-3-4-13-22-39-28-24-26(37-33-18-9-5-14-29(33)30-15-6-10-19-34(30)37)23-27(25-28)38-35-20-11-7-16-31(35)32-17-8-12-21-36(32)38/h2,5-12,14-21,23-25H,1,3-4,13,22H2
InChIKeyGBCIQCXVNZGRAA-UHFFFAOYSA-N
XLogP9.62
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3,5-bis(6-bromohexoxy)phenyl]carbazole
CID 156781144
9-(3-carbazol-9-yl-5-prop-2-enylphenyl)carbazole
CID 139517953
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate;2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 167551576
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
1-bromo-3-hex-5-enoxybenzene
CID 146004224
[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
CID 171607196
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 163994910
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
CID 161246536
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole?
The IUPAC name of 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole (CID 102040847) is 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole is C=CCCCCOc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole?
The InChIKey is GBCIQCXVNZGRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O/c1-2-3-4-13-22-39-28-24-26(37-33-18-9-5-14-29(33)30-15-6-10-19-34(30)37)23-27(25-28)38-35-20-11-7-16-31(35)32-17-8-12-21-36(32)38/h2,5-12,14-21,23-25H,1,3-4,13,22H2.
What are the key properties of 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole?
9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole has a molecular weight of 506.65 g/mol, XLogP of 9.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-yl-5-hex-5-enoxyphenyl)carbazole is sourced from PubChem (CID 102040847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).