7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene

C46H28 — CID 123235344

IUPAC7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2cc4c(cc2-3)c(-c2ccccc2)cc2c3ccccc3c(-c3ccccc3)cc42)cc1
InChIInChI=1S/C46H28/c1-4-13-29(14-5-1)32-23-24-37-42-27-43-39(31-17-8-3-9-18-31)26-40-34-20-11-10-19-33(34)38(30-15-6-2-7-16-30)25-44(40)45(43)28-41(42)36-22-12-21-35(32)46(36)37/h1-28H
InChIKeyYENLFAMQMCRXRG-UHFFFAOYSA-N
MW580.73 g/mol
LogP12.95
Rot. Bonds3

About 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene

7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene (PubChem CID 123235344) has the molecular formula C46H28 and a molecular weight of 580.73 g/mol. Its IUPAC name is 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene.

Molecular Properties

Compound Name7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
PubChem CID123235344
Molecular FormulaC46H28
Molecular Weight580.73 g/mol
Exact Mass580.22
IUPAC Name7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
SMILESc1ccc(-c2ccc3c4c(cccc24)-c2cc4c(cc2-3)c(-c2ccccc2)cc2c3ccccc3c(-c3ccccc3)cc42)cc1
InChIInChI=1S/C46H28/c1-4-13-29(14-5-1)32-23-24-37-42-27-43-39(31-17-8-3-9-18-31)26-40-34-20-11-10-19-33(34)38(30-15-6-2-7-16-30)25-44(40)45(43)28-41(42)36-22-12-21-35(32)46(36)37/h1-28H
InChIKeyYENLFAMQMCRXRG-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene with MolForge

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Related Compounds

3-[16-(3-cyanophenyl)-23-phenyl-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaenyl]benzonitrile
CID 118267907
3-[16-(3-cyanophenyl)-25-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaenyl]benzonitrile
CID 118268022
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
4,11-bis(2,6-diphenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2,4,6,8(34),9,11,13,15,17,19,21,23,25,27,29(33),30-heptadecaene
CID 123456482
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
3-[3-(3,4,5-triphenylphenyl)phenyl]fluoranthene
CID 162426864
21-(4-phenylnaphthalen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59629424
4-[16-(4-cyano-2-methylphenyl)-25-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaenyl]-3-methylbenzonitrile
CID 118264570
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319

Frequently Asked Questions

What is the IUPAC name of 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene?
The IUPAC name of 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene (CID 123235344) is 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene.
What is the SMILES notation for 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene?
The canonical SMILES for 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene is c1ccc(-c2ccc3c4c(cccc24)-c2cc4c(cc2-3)c(-c2ccccc2)cc2c3ccccc3c(-c3ccccc3)cc42)cc1.
What is the InChIKey of 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene?
The InChIKey is YENLFAMQMCRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28/c1-4-13-29(14-5-1)32-23-24-37-42-27-43-39(31-17-8-3-9-18-31)26-40-34-20-11-10-19-33(34)38(30-15-6-2-7-16-30)25-44(40)45(43)28-41(42)36-22-12-21-35(32)46(36)37/h1-28H.
What are the key properties of 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene?
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene has a molecular weight of 580.73 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene is sourced from PubChem (CID 123235344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).