3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene

C38H26 — CID 123314599

IUPAC3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene
SMILESC1=Cc2c3c(cc4ccccc24)-c2c(-c4ccc5c(c4)C4C=Cc6ccccc6C4C=C5)cccc2C3C1
InChIInChI=1S/C38H26/c1-3-9-27-23(7-1)17-20-31-30(27)19-18-24-15-16-26(21-35(24)31)29-11-5-13-33-34-14-6-12-32-28-10-4-2-8-25(28)22-36(37(29)33)38(32)34/h1-13,15-22,30-31,34H,14H2
InChIKeyDXDUKWHJWOVBQK-UHFFFAOYSA-N
MW482.63 g/mol
LogP9.96
Rot. Bonds1

About 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene

3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene (PubChem CID 123314599) has the molecular formula C38H26 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene.

Molecular Properties

Compound Name3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene
PubChem CID123314599
Molecular FormulaC38H26
Molecular Weight482.63 g/mol
Exact Mass482.20
IUPAC Name3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene
SMILESC1=Cc2c3c(cc4ccccc24)-c2c(-c4ccc5c(c4)C4C=Cc6ccccc6C4C=C5)cccc2C3C1
InChIInChI=1S/C38H26/c1-3-9-27-23(7-1)17-20-31-30(27)19-18-24-15-16-26(21-35(24)31)29-11-5-13-33-34-14-6-12-32-28-10-4-2-8-25(28)22-36(37(29)33)38(32)34/h1-13,15-22,30-31,34H,14H2
InChIKeyDXDUKWHJWOVBQK-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene?
The IUPAC name of 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene (CID 123314599) is 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene.
What is the SMILES notation for 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene?
The canonical SMILES for 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene is C1=Cc2c3c(cc4ccccc24)-c2c(-c4ccc5c(c4)C4C=Cc6ccccc6C4C=C5)cccc2C3C1.
What is the InChIKey of 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene?
The InChIKey is DXDUKWHJWOVBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26/c1-3-9-27-23(7-1)17-20-31-30(27)19-18-24-15-16-26(21-35(24)31)29-11-5-13-33-34-14-6-12-32-28-10-4-2-8-25(28)22-36(37(29)33)38(32)34/h1-13,15-22,30-31,34H,14H2.
What are the key properties of 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene?
3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene has a molecular weight of 482.63 g/mol, XLogP of 9.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4b,10b-dihydrochrysen-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,10,12(20),13,15,17-nonaene is sourced from PubChem (CID 123314599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).