9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene

C38H30 — CID 123876130

IUPAC9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene
SMILESC1=CC2C(C3=Cc4ccccc4C4C=CC=CC34)=c3ccccc3=C(c3ccccccccc3)C2C=C1
InChIInChI=1S/C38H30/c1-2-4-6-16-27(17-7-5-3-1)37-32-22-12-14-24-34(32)38(35-25-15-13-23-33(35)37)36-26-28-18-8-9-19-29(28)30-20-10-11-21-31(30)36/h1-26,30-32,34H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,16-6+,17-7-,27-16+,27-17+
InChIKeyGRYKQYJPAVHYKF-BJLLFWOFSA-N
MW486.66 g/mol
LogP7.46
Rot. Bonds2

About 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene

9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene (PubChem CID 123876130) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene.

Molecular Properties

Compound Name9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene
PubChem CID123876130
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene
SMILESC1=CC2C(C3=Cc4ccccc4C4C=CC=CC34)=c3ccccc3=C(c3ccccccccc3)C2C=C1
InChIInChI=1S/C38H30/c1-2-4-6-16-27(17-7-5-3-1)37-32-22-12-14-24-34(32)38(35-25-15-13-23-33(35)37)36-26-28-18-8-9-19-29(28)30-20-10-11-21-31(30)36/h1-26,30-32,34H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,16-6+,17-7-,27-16+,27-17+
InChIKeyGRYKQYJPAVHYKF-BJLLFWOFSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(4b,8a-dihydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123648265
2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole
CID 130256441
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
3-[4-[4-(4b,8a-dihydrophenanthren-9-yl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 129301230
3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171421007
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
(1S)-1-(2-methoxypropan-2-yl)-2-phenyl-1H-indene
CID 135008683
10-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-9-(4-naphthalen-2-ylphenyl)-2-phenyl-4a,9a-dihydroanthracene
CID 90728902
bis(1-cyclopenta-1,3-dien-1-yl-2-phenyl-1H-indene);zirconium(2+)
CID 172693912
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,5,8,10,12,15,17-octaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 144559190
2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole
CID 66524531
3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene
CID 123930416

Frequently Asked Questions

What is the IUPAC name of 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene?
The IUPAC name of 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene (CID 123876130) is 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene.
What is the SMILES notation for 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene?
The canonical SMILES for 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene is C1=CC2C(C3=Cc4ccccc4C4C=CC=CC34)=c3ccccc3=C(c3ccccccccc3)C2C=C1.
What is the InChIKey of 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene?
The InChIKey is GRYKQYJPAVHYKF-BJLLFWOFSA-N. The full InChI is InChI=1S/C38H30/c1-2-4-6-16-27(17-7-5-3-1)37-32-22-12-14-24-34(32)38(35-25-15-13-23-33(35)37)36-26-28-18-8-9-19-29(28)30-20-10-11-21-31(30)36/h1-26,30-32,34H/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,16-6+,17-7-,27-16+,27-17+.
What are the key properties of 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene?
9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene has a molecular weight of 486.66 g/mol, XLogP of 7.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene is sourced from PubChem (CID 123876130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).