12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C40H24N2O — CID 118502832

IUPAC12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C40H24N2O/c1-2-13-28-25(10-1)20-23-36-38(28)33-22-21-32-31-16-5-8-19-37(31)43-40(32)39(33)42(36)27-12-9-11-26(24-27)41-34-17-6-3-14-29(34)30-15-4-7-18-35(30)41/h1-24H
InChIKeyIHKLBWFTNGPMEN-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.93
Rot. Bonds2

About 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 118502832) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID118502832
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C40H24N2O/c1-2-13-28-25(10-1)20-23-36-38(28)33-22-21-32-31-16-5-8-19-37(31)43-40(32)39(33)42(36)27-12-9-11-26(24-27)41-34-17-6-3-14-29(34)30-15-4-7-18-35(30)41/h1-24H
InChIKeyIHKLBWFTNGPMEN-UHFFFAOYSA-N
XLogP10.93
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

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3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
8-dibenzofuran-4-yl-7-[3-(3-triphenylen-2-ylphenyl)phenyl]benzo[c]carbazole
CID 142570095
4-dibenzofuran-3-yl-4,19-diazaoctacyclo[17.10.1.02,18.03,15.05,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),5(14),6,8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 122594922
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
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12-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-2-yl-[1]benzofuro[2,3-a]carbazole;12-phenanthren-9-yl-[1]benzofuro[2,3-a]carbazole;12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 158223269
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838

Frequently Asked Questions

What is the IUPAC name of 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 118502832) is 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is IHKLBWFTNGPMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-13-28-25(10-1)20-23-36-38(28)33-22-21-32-31-16-5-8-19-37(31)43-40(32)39(33)42(36)27-12-9-11-26(24-27)41-34-17-6-3-14-29(34)30-15-4-7-18-35(30)41/h1-24H.
What are the key properties of 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 548.65 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-carbazol-9-ylphenyl)-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118502832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).