17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene

C42H26 — CID 140710568

IUPAC17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
SMILESc1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccc7ccccc7c5-6)c4)cccc3c2)cc1
InChIInChI=1S/C42H26/c1-2-9-27(10-3-1)29-20-21-34-30(25-29)14-7-16-33(34)31-12-6-13-32(26-31)35-23-24-40-41-36-15-5-4-11-28(36)19-22-39(41)38-18-8-17-37(35)42(38)40/h1-26H
InChIKeyVKGYXUXHDIZASZ-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.79
Rot. Bonds3

About 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene

17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene (PubChem CID 140710568) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

Compound Name17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
PubChem CID140710568
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
SMILESc1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccc7ccccc7c5-6)c4)cccc3c2)cc1
InChIInChI=1S/C42H26/c1-2-9-27(10-3-1)29-20-21-34-30(25-29)14-7-16-33(34)31-12-6-13-32(26-31)35-23-24-40-41-36-15-5-4-11-28(36)19-22-39(41)38-18-8-17-37(35)42(38)40/h1-26H
InChIKeyVKGYXUXHDIZASZ-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene with MolForge

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Related Compounds

2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaene
CID 140710698
19-[4-(9,9-dimethylfluoren-3-yl)phenyl]hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene;2-[4-(17-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)phenyl]dibenzofuran;17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 159519738

Frequently Asked Questions

What is the IUPAC name of 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
The IUPAC name of 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene (CID 140710568) is 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene.
What is the SMILES notation for 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
The canonical SMILES for 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene is c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c7c(cccc57)-c5ccc7ccccc7c5-6)c4)cccc3c2)cc1.
What is the InChIKey of 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
The InChIKey is VKGYXUXHDIZASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-9-27(10-3-1)29-20-21-34-30(25-29)14-7-16-33(34)31-12-6-13-32(26-31)35-23-24-40-41-36-15-5-4-11-28(36)19-22-39(41)38-18-8-17-37(35)42(38)40/h1-26H.
What are the key properties of 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene?
17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene has a molecular weight of 530.67 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 140710568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).