13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene

C56H40 — CID 123750706

IUPAC13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
SMILESC1=CC2C3=C(C=C4c5c(c(-c6ccccc6)c6cc7c8c(cccc8c6c5-c5ccccc5)C5=C7CC(c6cccc7c6CCC=C7)C=C5)C(=C1)C42)CCC=C3
InChIInChI=1S/C56H40/c1-3-15-34(16-4-1)50-49-32-47-46-30-37(39-23-11-20-33-14-7-9-21-38(33)39)28-29-41(46)43-25-13-26-44(52(43)47)54(49)51(35-17-5-2-6-18-35)56-48-31-36-19-8-10-22-40(36)42-24-12-27-45(53(42)48)55(50)56/h1-7,10-18,20,22-29,31-32,37,42,53H,8-9,19,21,30H2
InChIKeyILCTWZWDZYSXDG-UHFFFAOYSA-N
MW712.94 g/mol
LogP14.50
Rot. Bonds3

About 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene

13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene (PubChem CID 123750706) has the molecular formula C56H40 and a molecular weight of 712.94 g/mol. Its IUPAC name is 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene.

Molecular Properties

Compound Name13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
PubChem CID123750706
Molecular FormulaC56H40
Molecular Weight712.94 g/mol
Exact Mass712.31
IUPAC Name13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
SMILESC1=CC2C3=C(C=C4c5c(c(-c6ccccc6)c6cc7c8c(cccc8c6c5-c5ccccc5)C5=C7CC(c6cccc7c6CCC=C7)C=C5)C(=C1)C42)CCC=C3
InChIInChI=1S/C56H40/c1-3-15-34(16-4-1)50-49-32-47-46-30-37(39-23-11-20-33-14-7-9-21-38(33)39)28-29-41(46)43-25-13-26-44(52(43)47)54(49)51(35-17-5-2-6-18-35)56-48-31-36-19-8-10-22-40(36)42-24-12-27-45(53(42)48)55(50)56/h1-7,10-18,20,22-29,31-32,37,42,53H,8-9,19,21,30H2
InChIKeyILCTWZWDZYSXDG-UHFFFAOYSA-N
XLogP14.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene with MolForge

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Related Compounds

29-methyl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
CID 123988637
29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
CID 123910999
8-(3,6-ditert-butyl-4a,8a-dihydronaphthalen-1-yl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1,3,5,7,10,12,14,16,18(29),19(24),22,25,27-tridecaene
CID 123498238
23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene
CID 123308416
5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene
CID 91120642
N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195445
8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 158466845
9-[12-(2,3-dihydronaphthalen-1-yl)-4a,12a-dihydrobenzo[10]annulen-5-yl]-1,2,4b,8a-tetrahydrophenanthrene
CID 123796505
12-(1,7,8,8a-tetrahydronaphthalen-1-yl)-6-(7,8-dihydronaphthalen-1-yl)-3-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-7,8-dihydronaphthalen-2-yl]-1,2,10,10a-tetrahydrochrysene
CID 91058968
N-(4-phenanthren-3-ylcyclohexa-1,3-dien-1-yl)-9-(2-phenylphenyl)-N-[4-(3,4,5,6-tetrahydrophenanthren-3-yl)phenyl]-9H-fluoren-4-amine
CID 154935711
9-[4-[4-[4-(1,2-dihydroanthracen-9-yl)phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]anthracene
CID 143850889
12-[3-[10-[4-(7,8-dihydronaphthalen-1-yl)cyclohepta-2,4,6-trien-1-yl]anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 144583537

Frequently Asked Questions

What is the IUPAC name of 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
The IUPAC name of 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene (CID 123750706) is 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene.
What is the SMILES notation for 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
The canonical SMILES for 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene is C1=CC2C3=C(C=C4c5c(c(-c6ccccc6)c6cc7c8c(cccc8c6c5-c5ccccc5)C5=C7CC(c6cccc7c6CCC=C7)C=C5)C(=C1)C42)CCC=C3.
What is the InChIKey of 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
The InChIKey is ILCTWZWDZYSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40/c1-3-15-34(16-4-1)50-49-32-47-46-30-37(39-23-11-20-33-14-7-9-21-38(33)39)28-29-41(46)43-25-13-26-44(52(43)47)54(49)51(35-17-5-2-6-18-35)56-48-31-36-19-8-10-22-40(36)42-24-12-27-45(53(42)48)55(50)56/h1-7,10-18,20,22-29,31-32,37,42,53H,8-9,19,21,30H2.
What are the key properties of 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene has a molecular weight of 712.94 g/mol, XLogP of 14.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene is sourced from PubChem (CID 123750706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).