12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene

C50H30 — CID 123984865

IUPAC12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
SMILESC1=CC2=CC=C3C=CC(C4=C5C(=C(c6cccc7ccccc67)c6c5ccc5ccccc65)c5ccc6ccccc6c54)=C4C=CC(=C1)C2C34
InChIInChI=1S/C50H30/c1-4-15-35-29(9-1)12-8-18-38(35)47-45-36-16-5-2-10-30(36)21-27-41(45)50-48(46-37-17-6-3-11-31(37)22-28-42(46)49(47)50)40-26-24-34-20-19-32-13-7-14-33-23-25-39(40)44(34)43(32)33/h1-28,43-44H
InChIKeyYQOWPSGLFFTJGG-UHFFFAOYSA-N
MW630.79 g/mol
LogP12.37
Rot. Bonds2

About 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene

12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene (PubChem CID 123984865) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene.

Molecular Properties

Compound Name12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
PubChem CID123984865
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
SMILESC1=CC2=CC=C3C=CC(C4=C5C(=C(c6cccc7ccccc67)c6c5ccc5ccccc65)c5ccc6ccccc6c54)=C4C=CC(=C1)C2C34
InChIInChI=1S/C50H30/c1-4-15-35-29(9-1)12-8-18-38(35)47-45-36-16-5-2-10-30(36)21-27-41(45)50-48(46-37-17-6-3-11-31(37)22-28-42(46)49(47)50)40-26-24-34-20-19-32-13-7-14-33-23-25-39(40)44(34)43(32)33/h1-28,43-44H
InChIKeyYQOWPSGLFFTJGG-UHFFFAOYSA-N
XLogP12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene with MolForge

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Related Compounds

1-[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10b,10c-dihydropyrene
CID 144601470
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303
12-anthracen-1-yl-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123963259
24-anthracen-1-yl-12-naphthalen-1-ylhexacyclo[11.11.0.02,11.04,9.014,23.017,22]tetracosa-1(24),2,4,6,8,10,12,14(23),15,17,19,21-dodecaene
CID 123909799
12-naphthalen-1-yl-24-naphthalen-2-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123368799
11-(9,9-diethylfluoren-2-yl)-3-naphthalen-1-ylpentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
CID 123906483
3-(24-naphthalen-1-yl-12-hexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaenyl)-9H-carbazole
CID 90180403
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
14H-cyclopenta[a]phenanthrene
CID 18702387
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-methylanthracene;9-methylanthracene;1-methyl-10b,10c-dihydropyrene;4-methylbenzo[a]anthracene;5-methylbenzo[a]anthracene;2-methyl-6,12-dihydroindeno[1,2-b]fluorene;1-methyl-3,5-diphenylbenzene;2-methyl-9H-fluorene;1-methylnaphthalene;2-methylnaphthalene;3-methylphenanthrene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene
CID 159686448
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499

Frequently Asked Questions

What is the IUPAC name of 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
The IUPAC name of 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene (CID 123984865) is 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene.
What is the SMILES notation for 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
The canonical SMILES for 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene is C1=CC2=CC=C3C=CC(C4=C5C(=C(c6cccc7ccccc67)c6c5ccc5ccccc65)c5ccc6ccccc6c54)=C4C=CC(=C1)C2C34.
What is the InChIKey of 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
The InChIKey is YQOWPSGLFFTJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-4-15-35-29(9-1)12-8-18-38(35)47-45-36-16-5-2-10-30(36)21-27-41(45)50-48(46-37-17-6-3-11-31(37)22-28-42(46)49(47)50)40-26-24-34-20-19-32-13-7-14-33-23-25-39(40)44(34)43(32)33/h1-28,43-44H.
What are the key properties of 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene?
12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene has a molecular weight of 630.79 g/mol, XLogP of 12.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(10b,10c-dihydropyren-1-yl)-24-naphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene is sourced from PubChem (CID 123984865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).