6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene

C38H22 — CID 58454235

IUPAC6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene
SMILESc1ccc2c(-c3ccc4cc5c(cc4c3)-c3cc4c6ccccc6ccc4c4cccc-5c34)cccc2c1
InChIInChI=1S/C38H22/c1-3-10-28-23(7-1)9-5-12-30(28)26-16-15-25-20-34-33-14-6-13-32-31-18-17-24-8-2-4-11-29(24)36(31)22-37(38(32)33)35(34)21-27(25)19-26/h1-22H
InChIKeyKNSHJKDDQZSTNW-UHFFFAOYSA-N
MW478.59 g/mol
LogP10.77
Rot. Bonds1

About 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene

6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene (PubChem CID 58454235) has the molecular formula C38H22 and a molecular weight of 478.59 g/mol. Its IUPAC name is 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene.

Molecular Properties

Compound Name6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene
PubChem CID58454235
Molecular FormulaC38H22
Molecular Weight478.59 g/mol
Exact Mass478.17
IUPAC Name6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene
SMILESc1ccc2c(-c3ccc4cc5c(cc4c3)-c3cc4c6ccccc6ccc4c4cccc-5c34)cccc2c1
InChIInChI=1S/C38H22/c1-3-10-28-23(7-1)9-5-12-30(28)26-16-15-25-20-34-33-14-6-13-32-31-18-17-24-8-2-4-11-29(24)36(31)22-37(38(32)33)35(34)21-27(25)19-26/h1-22H
InChIKeyKNSHJKDDQZSTNW-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene?
The IUPAC name of 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene (CID 58454235) is 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene.
What is the SMILES notation for 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene?
The canonical SMILES for 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene is c1ccc2c(-c3ccc4cc5c(cc4c3)-c3cc4c6ccccc6ccc4c4cccc-5c34)cccc2c1.
What is the InChIKey of 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene?
The InChIKey is KNSHJKDDQZSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22/c1-3-10-28-23(7-1)9-5-12-30(28)26-16-15-25-20-34-33-14-6-13-32-31-18-17-24-8-2-4-11-29(24)36(31)22-37(38(32)33)35(34)21-27(25)19-26/h1-22H.
What are the key properties of 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene?
6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene has a molecular weight of 478.59 g/mol, XLogP of 10.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2(11),3,5,7,9,12,14,16,18,20,22,24,26-tetradecaene is sourced from PubChem (CID 58454235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).