6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan

C22H12ClIO — CID 155105827

IUPAC6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan
SMILESClc1ccc2c(c1)c1ccccc1c1oc(I)c(-c3ccccc3)c21
InChIInChI=1S/C22H12ClIO/c23-14-10-11-16-18(12-14)15-8-4-5-9-17(15)21-20(16)19(22(24)25-21)13-6-2-1-3-7-13/h1-12H
InChIKeyIDRBCGNKVAOAIQ-UHFFFAOYSA-N
MW454.69 g/mol
LogP7.66
Rot. Bonds1

About 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan

6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan (PubChem CID 155105827) has the molecular formula C22H12ClIO and a molecular weight of 454.69 g/mol. Its IUPAC name is 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan.

Molecular Properties

Compound Name6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan
PubChem CID155105827
Molecular FormulaC22H12ClIO
Molecular Weight454.69 g/mol
Exact Mass453.96
IUPAC Name6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan
SMILESClc1ccc2c(c1)c1ccccc1c1oc(I)c(-c3ccccc3)c21
InChIInChI=1S/C22H12ClIO/c23-14-10-11-16-18(12-14)15-8-4-5-9-17(15)21-20(16)19(22(24)25-21)13-6-2-1-3-7-13/h1-12H
InChIKeyIDRBCGNKVAOAIQ-UHFFFAOYSA-N
XLogP7.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-chloro-2,3-diphenylphenanthro[9,10-b]furan
CID 155105838
17-chloro-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146616841
6-chloro-2,3-diphenylphenanthro[9,10-b]furan;(3-chlorophenyl)boronic acid;6-(3-chlorophenyl)-2,3-diphenylphenanthro[9,10-b]furan;iodomethane
CID 158421519
19-chloro-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348305
4-chloro-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
CID 167121541
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
2-chloro-6,12-diphenylchrysene
CID 58501171
7-chloro-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 147340870
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
10-chloro-18-(12-chloro-2-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-17-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 166918037
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
5-chloro-N-naphthalen-2-yl-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121260491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan?
The IUPAC name of 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan (CID 155105827) is 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan.
What is the SMILES notation for 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan?
The canonical SMILES for 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan is Clc1ccc2c(c1)c1ccccc1c1oc(I)c(-c3ccccc3)c21.
What is the InChIKey of 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan?
The InChIKey is IDRBCGNKVAOAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClIO/c23-14-10-11-16-18(12-14)15-8-4-5-9-17(15)21-20(16)19(22(24)25-21)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan?
6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan has a molecular weight of 454.69 g/mol, XLogP of 7.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iodo-3-phenylphenanthro[9,10-b]furan is sourced from PubChem (CID 155105827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).