12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene

C38H28 — CID 123679016

IUPAC12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene
SMILESC=C(c1ccccc1-c1ccccc1)c1ccccccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C38H28/c1-28(31-21-11-12-22-33(31)29-16-5-4-6-17-29)32-20-7-2-3-8-24-38(37-26-14-13-25-35(32)37)36-27-15-19-30-18-9-10-23-34(30)36/h2-27H,1H2/b3-2-,7-2-,8-3-,20-7+,24-8+,32-20+,35-32+,38-24+,38-37+
InChIKeyMXCNLFWBLRYVJP-LHMSERNYSA-N
MW484.64 g/mol
LogP10.51
Rot. Bonds4

About 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene

12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene (PubChem CID 123679016) has the molecular formula C38H28 and a molecular weight of 484.64 g/mol. Its IUPAC name is 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene.

Molecular Properties

Compound Name12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene
PubChem CID123679016
Molecular FormulaC38H28
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene
SMILESC=C(c1ccccc1-c1ccccc1)c1ccccccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C38H28/c1-28(31-21-11-12-22-33(31)29-16-5-4-6-17-29)32-20-7-2-3-8-24-38(37-26-14-13-25-35(32)37)36-27-15-19-30-18-9-10-23-34(30)36/h2-27H,1H2/b3-2-,7-2-,8-3-,20-7+,24-8+,32-20+,35-32+,38-24+,38-37+
InChIKeyMXCNLFWBLRYVJP-LHMSERNYSA-N
XLogP10.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 172736940
CID 172736940
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-naphthalen-1-yl-3-phenylanthracene
CID 123533450
fluoroform;1-(2-phenylphenyl)naphthalene;sulfane
CID 162622934
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
1-[1-[3,5-bis(1-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 123405020
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene?
The IUPAC name of 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene (CID 123679016) is 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene.
What is the SMILES notation for 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene?
The canonical SMILES for 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene is C=C(c1ccccc1-c1ccccc1)c1ccccccc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene?
The InChIKey is MXCNLFWBLRYVJP-LHMSERNYSA-N. The full InChI is InChI=1S/C38H28/c1-28(31-21-11-12-22-33(31)29-16-5-4-6-17-29)32-20-7-2-3-8-24-38(37-26-14-13-25-35(32)37)36-27-15-19-30-18-9-10-23-34(30)36/h2-27H,1H2/b3-2-,7-2-,8-3-,20-7+,24-8+,32-20+,35-32+,38-24+,38-37+.
What are the key properties of 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene?
12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene has a molecular weight of 484.64 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-5-[1-(2-phenylphenyl)ethenyl]benzo[10]annulene is sourced from PubChem (CID 123679016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).