10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene

C48H36O — CID 142294282

IUPAC10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
SMILESCc1ccccc1.c1ccc(-c2ccc(Cc3cccc(-c4cccc(-c5cccc6c5oc5c7ccccc7ccc65)c4)c3)cc2)cc1
InChIInChI=1S/C41H28O.C7H8/c1-2-10-30(11-3-1)31-21-19-28(20-22-31)25-29-9-6-13-33(26-29)34-14-7-15-35(27-34)37-17-8-18-38-39-24-23-32-12-4-5-16-36(32)40(39)42-41(37)38;1-7-5-3-2-4-6-7/h1-24,26-27H,25H2;2-6H,1H3
InChIKeyVJXOJUCJXAEDHV-UHFFFAOYSA-N
MW628.82 g/mol
LogP13.33
Rot. Bonds5

About 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene

10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene (PubChem CID 142294282) has the molecular formula C48H36O and a molecular weight of 628.82 g/mol. Its IUPAC name is 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene.

Molecular Properties

Compound Name10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
PubChem CID142294282
Molecular FormulaC48H36O
Molecular Weight628.82 g/mol
Exact Mass628.28
IUPAC Name10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
SMILESCc1ccccc1.c1ccc(-c2ccc(Cc3cccc(-c4cccc(-c5cccc6c5oc5c7ccccc7ccc65)c4)c3)cc2)cc1
InChIInChI=1S/C41H28O.C7H8/c1-2-10-30(11-3-1)31-21-19-28(20-22-31)25-29-9-6-13-33(26-29)34-14-7-15-35(27-34)37-17-8-18-38-39-24-23-32-12-4-5-16-36(32)40(39)42-41(37)38;1-7-5-3-2-4-6-7/h1-24,26-27H,25H2;2-6H,1H3
InChIKeyVJXOJUCJXAEDHV-UHFFFAOYSA-N
XLogP13.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzofuran
CID 118616537
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312
2-[(4-tert-butylphenyl)methyl]phenanthrene;1-[4-[(3,5-diphenylphenyl)methyl]phenyl]naphthalene;1,3-diphenyl-5-[(4-phenylphenyl)methyl]benzene;1-[4-(naphthalen-2-ylmethyl)phenyl]naphthalene;1-[3-[(3-naphthalen-1-ylphenyl)methyl]phenyl]naphthalene;1-[4-[(3-phenylphenyl)methyl]phenyl]naphthalene
CID 160912130
10-[7-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 122426429
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
3-benzyl-7-(3-phenylphenyl)dibenzofuran
CID 162363334
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
CID 174274045
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 171421116
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
5-(4-methylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 142315579

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene?
The IUPAC name of 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene (CID 142294282) is 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene.
What is the SMILES notation for 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene?
The canonical SMILES for 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene is Cc1ccccc1.c1ccc(-c2ccc(Cc3cccc(-c4cccc(-c5cccc6c5oc5c7ccccc7ccc65)c4)c3)cc2)cc1.
What is the InChIKey of 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene?
The InChIKey is VJXOJUCJXAEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O.C7H8/c1-2-10-30(11-3-1)31-21-19-28(20-22-31)25-29-9-6-13-33(26-29)34-14-7-15-35(27-34)37-17-8-18-38-39-24-23-32-12-4-5-16-36(32)40(39)42-41(37)38;1-7-5-3-2-4-6-7/h1-24,26-27H,25H2;2-6H,1H3.
What are the key properties of 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene?
10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene has a molecular weight of 628.82 g/mol, XLogP of 13.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene is sourced from PubChem (CID 142294282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).