15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene

C29H19N — CID 126501058

IUPAC15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene
SMILESCc1nc2c3ccccc3c3ccccc3c2c2c1Cc1c-2ccc2ccccc12
InChIInChI=1S/C29H19N/c1-17-25-16-26-19-9-3-2-8-18(19)14-15-23(26)27(25)28-22-12-6-4-10-20(22)21-11-5-7-13-24(21)29(28)30-17/h2-15H,16H2,1H3
InChIKeyDOKKBCOKSKGTAH-UHFFFAOYSA-N
MW381.48 g/mol
LogP7.57
Rot. Bonds

About 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene

15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene (PubChem CID 126501058) has the molecular formula C29H19N and a molecular weight of 381.48 g/mol. Its IUPAC name is 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene
PubChem CID126501058
Molecular FormulaC29H19N
Molecular Weight381.48 g/mol
Exact Mass381.15
IUPAC Name15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene
SMILESCc1nc2c3ccccc3c3ccccc3c2c2c1Cc1c-2ccc2ccccc12
InChIInChI=1S/C29H19N/c1-17-25-16-26-19-9-3-2-8-18(19)14-15-23(26)27(25)28-22-12-6-4-10-20(22)21-11-5-7-13-24(21)29(28)30-17/h2-15H,16H2,1H3
InChIKeyDOKKBCOKSKGTAH-UHFFFAOYSA-N
XLogP7.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 159418774
3-bromopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159448071
13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 4558435
8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
28-thiaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene
CID 161448851
heptacyclo[15.12.0.02,15.05,14.06,11.018,27.020,25]nonacosa-1(17),2(15),3,5(14),6,8,10,12,18,20,22,24,26,28-tetradecaene
CID 59742046
8-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6(11),7,9,15,18,20,22,24,26,28-tetradecaene
CID 154600307
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888
7-methylpentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 160819244
13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 154087157

Frequently Asked Questions

What is the IUPAC name of 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene (CID 126501058) is 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene is Cc1nc2c3ccccc3c3ccccc3c2c2c1Cc1c-2ccc2ccccc12.
What is the InChIKey of 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene?
The InChIKey is DOKKBCOKSKGTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N/c1-17-25-16-26-19-9-3-2-8-18(19)14-15-23(26)27(25)28-22-12-6-4-10-20(22)21-11-5-7-13-24(21)29(28)30-17/h2-15H,16H2,1H3.
What are the key properties of 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene?
15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene has a molecular weight of 381.48 g/mol, XLogP of 7.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 126501058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).