17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene

C35H21N — CID 154211959

IUPAC17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene
SMILESc1ccc(-c2cccc3c2ccc2c4cc5ccccc5nc4c4c5ccccc5ccc4c32)cc1
InChIInChI=1S/C35H21N/c1-2-9-22(10-3-1)25-14-8-15-28-27(25)19-20-29-31-21-24-12-5-7-16-32(24)36-35(31)34-26-13-6-4-11-23(26)17-18-30(34)33(28)29/h1-21H
InChIKeyFPJKSTQGLATWQH-UHFFFAOYSA-N
MW455.56 g/mol
LogP9.67
Rot. Bonds1

About 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene

17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene (PubChem CID 154211959) has the molecular formula C35H21N and a molecular weight of 455.56 g/mol. Its IUPAC name is 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene.

Molecular Properties

Compound Name17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene
PubChem CID154211959
Molecular FormulaC35H21N
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene
SMILESc1ccc(-c2cccc3c2ccc2c4cc5ccccc5nc4c4c5ccccc5ccc4c32)cc1
InChIInChI=1S/C35H21N/c1-2-9-22(10-3-1)25-14-8-15-28-27(25)19-20-29-31-21-24-12-5-7-16-32(24)36-35(31)34-26-13-6-4-11-23(26)17-18-30(34)33(28)29/h1-21H
InChIKeyFPJKSTQGLATWQH-UHFFFAOYSA-N
XLogP9.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene with MolForge

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Related Compounds

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CID 141282309
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CID 139812806
9-(3-phenylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
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9-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-6-phenylbenzo[k]phenanthridine
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Frequently Asked Questions

What is the IUPAC name of 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene?
The IUPAC name of 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene (CID 154211959) is 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene.
What is the SMILES notation for 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene?
The canonical SMILES for 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene is c1ccc(-c2cccc3c2ccc2c4cc5ccccc5nc4c4c5ccccc5ccc4c32)cc1.
What is the InChIKey of 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene?
The InChIKey is FPJKSTQGLATWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N/c1-2-9-22(10-3-1)25-14-8-15-28-27(25)19-20-29-31-21-24-12-5-7-16-32(24)36-35(31)34-26-13-6-4-11-23(26)17-18-30(34)33(28)29/h1-21H.
What are the key properties of 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene?
17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene has a molecular weight of 455.56 g/mol, XLogP of 9.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-30-azaheptacyclo[20.8.0.02,11.03,8.012,21.013,18.024,29]triaconta-1(30),2(11),3,5,7,9,12(21),13(18),14,16,19,22,24,26,28-pentadecaene is sourced from PubChem (CID 154211959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).