10-chlorobenzo[b]triphenylene

C22H13Cl — CID 15449469

IUPAC10-chlorobenzo[b]triphenylene
SMILESClc1cccc2cc3c4ccccc4c4ccccc4c3cc12
InChIInChI=1S/C22H13Cl/c23-22-11-5-6-14-12-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)21(20)13-19(14)22/h1-13H
InChIKeyMSVCEBXJKYOQSX-UHFFFAOYSA-N
MW312.80 g/mol
LogP6.95
Rot. Bonds

About 10-chlorobenzo[b]triphenylene

10-chlorobenzo[b]triphenylene (PubChem CID 15449469) has the molecular formula C22H13Cl and a molecular weight of 312.80 g/mol. Its IUPAC name is 10-chlorobenzo[b]triphenylene.

Molecular Properties

Compound Name10-chlorobenzo[b]triphenylene
PubChem CID15449469
Molecular FormulaC22H13Cl
Molecular Weight312.80 g/mol
Exact Mass312.07
IUPAC Name10-chlorobenzo[b]triphenylene
SMILESClc1cccc2cc3c4ccccc4c4ccccc4c3cc12
InChIInChI=1S/C22H13Cl/c23-22-11-5-6-14-12-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)21(20)13-19(14)22/h1-13H
InChIKeyMSVCEBXJKYOQSX-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.80
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 87838951
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
1,4-dichloroanthracene
CID 3497125
bis(5-chloroanthracen-1-yl)methanone
CID 175330463
7,10,26,29,45,48-hexachlorohexadecacyclo[40.15.1.14,12.123,31.02,41.03,21.06,11.013,18.022,40.025,30.032,37.044,49.050,58.051,56.020,60.039,59]hexaconta-1(57),2,4,6,8,10,12(60),13,15,17,19,21,23,25,27,29,31(59),32,34,36,38,40,42,44,46,48,50(58),51,53,55-triacontaene
CID 102026599
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
9-(2-bromo-3-chlorophenyl)phenanthrene
CID 177274939
potassium;1-chloronaphthalene;tetrafluoroborate
CID 175591005
5-chloro-3-methylnaphthalen-2-amine
CID 142250100
9-bromo-1-chloroanthracene
CID 165359177
(5-chloro-3-methylnaphthalen-2-yl)phosphane
CID 70974446

Frequently Asked Questions

What is the IUPAC name of 10-chlorobenzo[b]triphenylene?
The IUPAC name of 10-chlorobenzo[b]triphenylene (CID 15449469) is 10-chlorobenzo[b]triphenylene.
What is the SMILES notation for 10-chlorobenzo[b]triphenylene?
The canonical SMILES for 10-chlorobenzo[b]triphenylene is Clc1cccc2cc3c4ccccc4c4ccccc4c3cc12.
What is the InChIKey of 10-chlorobenzo[b]triphenylene?
The InChIKey is MSVCEBXJKYOQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl/c23-22-11-5-6-14-12-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)21(20)13-19(14)22/h1-13H.
What are the key properties of 10-chlorobenzo[b]triphenylene?
10-chlorobenzo[b]triphenylene has a molecular weight of 312.80 g/mol, XLogP of 6.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorobenzo[b]triphenylene is sourced from PubChem (CID 15449469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).