6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene

C56H36 — CID 101396816

IUPAC6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene
SMILESCc1ccccc1-c1cc2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5C)cc5ccc6c(-c7cccc8ccccc78)c(c1)c2c3c6c54
InChIInChI=1S/C56H36/c1-33-13-3-7-19-41(33)39-29-37-25-27-48-54(46-24-12-18-36-16-6-10-22-44(36)46)50-32-40(42-20-8-4-14-34(42)2)30-38-26-28-47-53(45-23-11-17-35-15-5-9-21-43(35)45)49(31-39)51(37)55(48)56(47)52(38)50/h3-32H,1-2H3
InChIKeyUZIXNHARQOEWRQ-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.92
Rot. Bonds4

About 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene

6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene (PubChem CID 101396816) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene.

Molecular Properties

Compound Name6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene
PubChem CID101396816
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene
SMILESCc1ccccc1-c1cc2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5C)cc5ccc6c(-c7cccc8ccccc78)c(c1)c2c3c6c54
InChIInChI=1S/C56H36/c1-33-13-3-7-19-41(33)39-29-37-25-27-48-54(46-24-12-18-36-16-6-10-22-44(36)46)50-32-40(42-20-8-4-14-34(42)2)30-38-26-28-47-53(45-23-11-17-35-15-5-9-21-43(35)45)49(31-39)51(37)55(48)56(47)52(38)50/h3-32H,1-2H3
InChIKeyUZIXNHARQOEWRQ-UHFFFAOYSA-N
XLogP15.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene with MolForge

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Related Compounds

2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
4-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412858
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
CID 153465608
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920

Frequently Asked Questions

What is the IUPAC name of 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene?
The IUPAC name of 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene (CID 101396816) is 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene.
What is the SMILES notation for 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene?
The canonical SMILES for 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene is Cc1ccccc1-c1cc2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5C)cc5ccc6c(-c7cccc8ccccc78)c(c1)c2c3c6c54.
What is the InChIKey of 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene?
The InChIKey is UZIXNHARQOEWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-33-13-3-7-19-41(33)39-29-37-25-27-48-54(46-24-12-18-36-16-6-10-22-44(36)46)50-32-40(42-20-8-4-14-34(42)2)30-38-26-28-47-53(45-23-11-17-35-15-5-9-21-43(35)45)49(31-39)51(37)55(48)56(47)52(38)50/h3-32H,1-2H3.
What are the key properties of 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene?
6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene has a molecular weight of 708.90 g/mol, XLogP of 15.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-bis(2-methylphenyl)-12,22-dinaphthalen-1-ylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3,5,7,9,12,14,16,18,20(22)-undecaene is sourced from PubChem (CID 101396816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).