15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene

C24H13ClO2 — CID 154727808

IUPAC15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene
SMILESClc1cccc2oc3c(-c4ccccc4)c4c(cc3c12)oc1ccccc14
InChIInChI=1S/C24H13ClO2/c25-17-10-6-12-19-22(17)16-13-20-23(15-9-4-5-11-18(15)26-20)21(24(16)27-19)14-7-2-1-3-8-14/h1-13H
InChIKeyMRVLDFHBWRCIOA-UHFFFAOYSA-N
MW368.82 g/mol
LogP7.81
Rot. Bonds1

About 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene

15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene (PubChem CID 154727808) has the molecular formula C24H13ClO2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene.

Molecular Properties

Compound Name15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene
PubChem CID154727808
Molecular FormulaC24H13ClO2
Molecular Weight368.82 g/mol
Exact Mass368.06
IUPAC Name15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene
SMILESClc1cccc2oc3c(-c4ccccc4)c4c(cc3c12)oc1ccccc14
InChIInChI=1S/C24H13ClO2/c25-17-10-6-12-19-22(17)16-13-20-23(15-9-4-5-11-18(15)26-20)21(24(16)27-19)14-7-2-1-3-8-14/h1-13H
InChIKeyMRVLDFHBWRCIOA-UHFFFAOYSA-N
XLogP7.81
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene with MolForge

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Related Compounds

N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 158923776
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586
1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran
CID 163589465
2-chloro-1-(3,5-diphenylphenyl)dibenzofuran
CID 177281427
14-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130190174
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876
2-(9-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 163739599
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 122426906
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
CID 167190989
12-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 159200680
N-(4-dibenzothiophen-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161357638
12-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 160729458

Frequently Asked Questions

What is the IUPAC name of 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene?
The IUPAC name of 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene (CID 154727808) is 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene.
What is the SMILES notation for 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene?
The canonical SMILES for 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene is Clc1cccc2oc3c(-c4ccccc4)c4c(cc3c12)oc1ccccc14.
What is the InChIKey of 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene?
The InChIKey is MRVLDFHBWRCIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClO2/c25-17-10-6-12-19-22(17)16-13-20-23(15-9-4-5-11-18(15)26-20)21(24(16)27-19)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene?
15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene has a molecular weight of 368.82 g/mol, XLogP of 7.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene is sourced from PubChem (CID 154727808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).