12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole

C89H67N5 — CID 163692832

IUPAC12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
SMILESCn1c2c3ccccc3ccc2c2ccc3ccccc3c21.Cn1c2cc3ccccc3cc2c2cc3ccccc3cc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ccc3ccccc3c21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/2C21H15N.2C17H13N.C13H11N/c1-22-20-12-16-8-4-2-6-14(16)10-18(20)19-11-15-7-3-5-9-17(15)13-21(19)22;1-22-20-16-8-4-2-6-14(16)10-12-18(20)19-13-11-15-7-3-5-9-17(15)21(19)22;1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2*2-13H,1H3;2*2-11H,1H3;2-9H,1H3
InChIKeyJUKKHIFACIJSMB-UHFFFAOYSA-N
MW1206.55 g/mol
LogP23.58
Rot. Bonds

About 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole

12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole (PubChem CID 163692832) has the molecular formula C89H67N5 and a molecular weight of 1206.55 g/mol. Its IUPAC name is 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole.

Molecular Properties

Compound Name12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
PubChem CID163692832
Molecular FormulaC89H67N5
Molecular Weight1206.55 g/mol
Exact Mass1205.54
IUPAC Name12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
SMILESCn1c2c3ccccc3ccc2c2ccc3ccccc3c21.Cn1c2cc3ccccc3cc2c2cc3ccccc3cc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ccc3ccccc3c21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/2C21H15N.2C17H13N.C13H11N/c1-22-20-12-16-8-4-2-6-14(16)10-18(20)19-11-15-7-3-5-9-17(15)13-21(19)22;1-22-20-16-8-4-2-6-14(16)10-12-18(20)19-13-11-15-7-3-5-9-17(15)21(19)22;1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2*2-13H,1H3;2*2-11H,1H3;2-9H,1H3
InChIKeyJUKKHIFACIJSMB-UHFFFAOYSA-N
XLogP23.58
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001206.55
LogP ≤ 523.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole with MolForge

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Related Compounds

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CID 163612892
7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
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11-methyl-3-(6-methylnaphthalen-2-yl)benzo[a]carbazole
CID 58410457
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592
CID 163636067
CID 163636067
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
14,28-dimethyl-9,23-bis[(E)-2-naphthalen-2-ylethenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene
CID 118885655
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3-methyl-14-oxa-3-azahexacyclo[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
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11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium
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Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole?
The IUPAC name of 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole (CID 163692832) is 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole.
What is the SMILES notation for 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole?
The canonical SMILES for 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole is Cn1c2c3ccccc3ccc2c2ccc3ccccc3c21.Cn1c2cc3ccccc3cc2c2cc3ccccc3cc21.Cn1c2ccccc2c2cc3ccccc3cc21.Cn1c2ccccc2c2ccc3ccccc3c21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole?
The InChIKey is JUKKHIFACIJSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15N.2C17H13N.C13H11N/c1-22-20-12-16-8-4-2-6-14(16)10-18(20)19-11-15-7-3-5-9-17(15)13-21(19)22;1-22-20-16-8-4-2-6-14(16)10-12-18(20)19-13-11-15-7-3-5-9-17(15)21(19)22;1-18-16-9-5-4-8-14(16)15-10-12-6-2-3-7-13(12)11-17(15)18;1-18-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2*2-13H,1H3;2*2-11H,1H3;2-9H,1H3.
What are the key properties of 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole?
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole has a molecular weight of 1206.55 g/mol, XLogP of 23.58, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole is sourced from PubChem (CID 163692832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).