15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene

C38H26 — CID 123663461

IUPAC15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene
SMILESCC(C)(C)c1cc2c(c3c1-c1ccc4ccccc4c1-3)c1c3ccccc3c2c2ccc3ccccc3c21
InChIInChI=1S/C38H26/c1-38(2,3)30-20-29-31-25-14-8-9-15-26(25)35(32-23-12-6-4-10-21(23)16-18-27(31)32)36(29)37-33-24-13-7-5-11-22(24)17-19-28(33)34(30)37/h4-20H,1-3H3
InChIKeyXGSYRKZYKZSGGQ-UHFFFAOYSA-N
MW482.63 g/mol
LogP10.99
Rot. Bonds

About 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene

15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene (PubChem CID 123663461) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene.

Molecular Properties

Compound Name15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene
PubChem CID123663461
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene
SMILESCC(C)(C)c1cc2c(c3c1-c1ccc4ccccc4c1-3)c1c3ccccc3c2c2ccc3ccccc3c21
InChIInChI=1S/C38H26/c1-38(2,3)30-20-29-31-25-14-8-9-15-26(25)35(32-23-12-6-4-10-21(23)16-18-27(31)32)36(29)37-33-24-13-7-5-11-22(24)17-19-28(33)34(30)37/h4-20H,1-3H3
InChIKeyXGSYRKZYKZSGGQ-UHFFFAOYSA-N
XLogP10.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene with MolForge

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CID 59642436

Frequently Asked Questions

What is the IUPAC name of 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene?
The IUPAC name of 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene (CID 123663461) is 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene.
What is the SMILES notation for 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene?
The canonical SMILES for 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene is CC(C)(C)c1cc2c(c3c1-c1ccc4ccccc4c1-3)c1c3ccccc3c2c2ccc3ccccc3c21.
What is the InChIKey of 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene?
The InChIKey is XGSYRKZYKZSGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-38(2,3)30-20-29-31-25-14-8-9-15-26(25)35(32-23-12-6-4-10-21(23)16-18-27(31)32)36(29)37-33-24-13-7-5-11-22(24)17-19-28(33)34(30)37/h4-20H,1-3H3.
What are the key properties of 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene?
15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene has a molecular weight of 482.63 g/mol, XLogP of 10.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene is sourced from PubChem (CID 123663461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).