8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

C42H26O2 — CID 162495161

IUPAC8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc6oc7c(ccc8c9ccccc9oc87)c56)c4)c3)c2)cc1
InChIInChI=1S/C42H26O2/c1-2-10-27(11-3-1)28-12-6-13-29(24-28)30-14-7-15-31(25-30)32-16-8-17-33(26-32)34-19-9-21-39-40(34)37-23-22-36-35-18-4-5-20-38(35)43-41(36)42(37)44-39/h1-26H
InChIKeyZMVQERPELDNCNM-UHFFFAOYSA-N
MW562.67 g/mol
LogP12.15
Rot. Bonds4

About 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene (PubChem CID 162495161) has the molecular formula C42H26O2 and a molecular weight of 562.67 g/mol. Its IUPAC name is 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
PubChem CID162495161
Molecular FormulaC42H26O2
Molecular Weight562.67 g/mol
Exact Mass562.19
IUPAC Name8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc6oc7c(ccc8c9ccccc9oc87)c56)c4)c3)c2)cc1
InChIInChI=1S/C42H26O2/c1-2-10-27(11-3-1)28-12-6-13-29(24-28)30-14-7-15-31(25-30)32-16-8-17-33(26-32)34-19-9-21-39-40(34)37-23-22-36-35-18-4-5-20-38(35)43-41(36)42(37)44-39/h1-26H
InChIKeyZMVQERPELDNCNM-UHFFFAOYSA-N
XLogP12.15
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
7-[3-(3,5-diphenylphenyl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162495178
17-(2-phenylphenyl)-8-[17-(3-phenylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-9-yl]-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5(10),6,8,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaene
CID 155221608
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
6-(3-phenylphenyl)dibenzofuran-1-ol
CID 155038866
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130185488
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
The IUPAC name of 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene (CID 162495161) is 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.
What is the SMILES notation for 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
The canonical SMILES for 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc6oc7c(ccc8c9ccccc9oc87)c56)c4)c3)c2)cc1.
What is the InChIKey of 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
The InChIKey is ZMVQERPELDNCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O2/c1-2-10-27(11-3-1)28-12-6-13-29(24-28)30-14-7-15-31(25-30)32-16-8-17-33(26-32)34-19-9-21-39-40(34)37-23-22-36-35-18-4-5-20-38(35)43-41(36)42(37)44-39/h1-26H.
What are the key properties of 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene has a molecular weight of 562.67 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene is sourced from PubChem (CID 162495161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).