11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene

C37H26 — CID 144837253

IUPAC11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene
SMILESC1=Cc2c(c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c2-c2ccccc2)C=CC1
InChIInChI=1S/C37H26/c1-4-14-26(15-5-1)28-24-25-35(30-19-11-10-18-29(28)30)37-33-21-9-3-8-20-31(33)36(27-16-6-2-7-17-27)32-22-12-13-23-34(32)37/h1-2,4-25H,3H2
InChIKeyNAJFEHYLEAQVIM-UHFFFAOYSA-N
MW470.62 g/mol
LogP10.42
Rot. Bonds3

About 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene

11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene (PubChem CID 144837253) has the molecular formula C37H26 and a molecular weight of 470.62 g/mol. Its IUPAC name is 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene.

Molecular Properties

Compound Name11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene
PubChem CID144837253
Molecular FormulaC37H26
Molecular Weight470.62 g/mol
Exact Mass470.20
IUPAC Name11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene
SMILESC1=Cc2c(c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c2-c2ccccc2)C=CC1
InChIInChI=1S/C37H26/c1-4-14-26(15-5-1)28-24-25-35(30-19-11-10-18-29(28)30)37-33-21-9-3-8-20-31(33)36(27-16-6-2-7-17-27)32-22-12-13-23-34(32)37/h1-2,4-25H,3H2
InChIKeyNAJFEHYLEAQVIM-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
9-phenyl-10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracene
CID 145174557
9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 143043863
2-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-4-phenyl-6-(1-phenyl-7H-benzo[7]annulen-4-yl)pyrimidine
CID 176632667
triphenyl-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]silane
CID 123924347
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
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9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
21-[10-(4-phenylnaphthalen-1-yl)anthracen-9-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 156656861
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene?
The IUPAC name of 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene (CID 144837253) is 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene.
What is the SMILES notation for 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene?
The canonical SMILES for 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene is C1=Cc2c(c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c2-c2ccccc2)C=CC1.
What is the InChIKey of 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene?
The InChIKey is NAJFEHYLEAQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26/c1-4-14-26(15-5-1)28-24-25-35(30-19-11-10-18-29(28)30)37-33-21-9-3-8-20-31(33)36(27-16-6-2-7-17-27)32-22-12-13-23-34(32)37/h1-2,4-25H,3H2.
What are the key properties of 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene?
11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene has a molecular weight of 470.62 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene is sourced from PubChem (CID 144837253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).