(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene

C26H16 — CID 10687737

IUPAC(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene
SMILESC1=CC2=CC=C3C=CC=C4C5=C(C(=C1)[C@H]2[C@@H]34)c1cccc2cccc5c12
InChIInChI=1S/C26H16/c1-5-15-6-2-10-19-22(15)18(9-1)25-20-11-3-7-16-13-14-17-8-4-12-21(26(19)25)24(17)23(16)20/h1-14,23-24H/t23-,24-/m0/s1
InChIKeyDDQSVSAMIOMUDY-ZEQRLZLVSA-N
MW328.41 g/mol
LogP6.17
Rot. Bonds

About (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene

(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene (PubChem CID 10687737) has the molecular formula C26H16 and a molecular weight of 328.41 g/mol. Its IUPAC name is (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene.

Molecular Properties

Compound Name(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene
PubChem CID10687737
Molecular FormulaC26H16
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene
SMILESC1=CC2=CC=C3C=CC=C4C5=C(C(=C1)[C@H]2[C@@H]34)c1cccc2cccc5c12
InChIInChI=1S/C26H16/c1-5-15-6-2-10-19-22(15)18(9-1)25-20-11-3-7-16-13-14-17-8-4-12-21(26(19)25)24(17)23(16)20/h1-14,23-24H/t23-,24-/m0/s1
InChIKeyDDQSVSAMIOMUDY-ZEQRLZLVSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene with MolForge

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Related Compounds

fluoranthene
CID 139203734
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CID 7173662
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
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CID 7173658
1-[2,5-dimethyl-4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10b,10c-dihydropyrene
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N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-phenyl-10b,10c-dihydropyren-4-amine;N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
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CID 101400560

Frequently Asked Questions

What is the IUPAC name of (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene?
The IUPAC name of (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene (CID 10687737) is (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene.
What is the SMILES notation for (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene?
The canonical SMILES for (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene is C1=CC2=CC=C3C=CC=C4C5=C(C(=C1)[C@H]2[C@@H]34)c1cccc2cccc5c12.
What is the InChIKey of (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene?
The InChIKey is DDQSVSAMIOMUDY-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H16/c1-5-15-6-2-10-19-22(15)18(9-1)25-20-11-3-7-16-13-14-17-8-4-12-21(26(19)25)24(17)23(16)20/h1-14,23-24H/t23-,24-/m0/s1.
What are the key properties of (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene?
(24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene has a molecular weight of 328.41 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (24S,25S)-heptacyclo[11.10.2.13,7.02,12.017,25.020,24.011,26]hexacosa-1(23),2(12),3,5,7(26),8,10,13,15,17,19,21-dodecaene is sourced from PubChem (CID 10687737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).