3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole

C24H12Cl4N2 — CID 122387908

IUPAC3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole
SMILESClc1ccc2[nH]c3c(-n4c5ccc(Cl)cc5c5cc(Cl)ccc54)cc(Cl)cc3c2c1
InChIInChI=1S/C24H12Cl4N2/c25-12-1-4-20-16(7-12)19-10-15(28)11-23(24(19)29-20)30-21-5-2-13(26)8-17(21)18-9-14(27)3-6-22(18)30/h1-11,29H
InChIKeyQOKYGSUPVHIPDT-UHFFFAOYSA-N
MW470.19 g/mol
LogP9.03
Rot. Bonds1

About 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole

3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole (PubChem CID 122387908) has the molecular formula C24H12Cl4N2 and a molecular weight of 470.19 g/mol. Its IUPAC name is 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole.

Molecular Properties

Compound Name3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole
PubChem CID122387908
Molecular FormulaC24H12Cl4N2
Molecular Weight470.19 g/mol
Exact Mass467.98
IUPAC Name3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole
SMILESClc1ccc2[nH]c3c(-n4c5ccc(Cl)cc5c5cc(Cl)ccc54)cc(Cl)cc3c2c1
InChIInChI=1S/C24H12Cl4N2/c25-12-1-4-20-16(7-12)19-10-15(28)11-23(24(19)29-20)30-21-5-2-13(26)8-17(21)18-9-14(27)3-6-22(18)30/h1-11,29H
InChIKeyQOKYGSUPVHIPDT-UHFFFAOYSA-N
XLogP9.03
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.19
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
CID 10947217
3-chloro-1,6-dimethoxy-9H-carbazole
CID 171714846
6-chloro-1-oxo-9H-thiopyrano[3,4-b]indole-3-carboxylic acid
CID 163409236
3-(5-chloro-2-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43661017
4,10-dichloro-17-(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15,17,19-decaen-5-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 135234567
3-(5-chloro-2-methoxyphenyl)-6-iodo-1H-benzimidazole-2-thione
CID 66065303
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
CID 14178328
6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene
CID 160542805

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole?
The IUPAC name of 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole (CID 122387908) is 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole.
What is the SMILES notation for 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole?
The canonical SMILES for 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole is Clc1ccc2[nH]c3c(-n4c5ccc(Cl)cc5c5cc(Cl)ccc54)cc(Cl)cc3c2c1.
What is the InChIKey of 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole?
The InChIKey is QOKYGSUPVHIPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl4N2/c25-12-1-4-20-16(7-12)19-10-15(28)11-23(24(19)29-20)30-21-5-2-13(26)8-17(21)18-9-14(27)3-6-22(18)30/h1-11,29H.
What are the key properties of 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole?
3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole has a molecular weight of 470.19 g/mol, XLogP of 9.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole is sourced from PubChem (CID 122387908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).