3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole

C22H18N2 — CID 139052416

IUPAC3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole
SMILESCn1ccc2c3c4ccccc4n(C)c3cc(-c3ccccc3)c21
InChIInChI=1S/C22H18N2/c1-23-13-12-17-21-16-10-6-7-11-19(16)24(2)20(21)14-18(22(17)23)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyDQVMXXQNNBFVKI-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.49
Rot. Bonds1

About 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole

3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole (PubChem CID 139052416) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole
PubChem CID139052416
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole
SMILESCn1ccc2c3c4ccccc4n(C)c3cc(-c3ccccc3)c21
InChIInChI=1S/C22H18N2/c1-23-13-12-17-21-16-10-6-7-11-19(16)24(2)20(21)14-18(22(17)23)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeyDQVMXXQNNBFVKI-UHFFFAOYSA-N
XLogP5.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,12-dimethyl-7-(4-methylphenyl)indolo[3,2-a]carbazole
CID 162402287
3-bromo-9-methyl-1-phenylcarbazole
CID 163978130
(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone
CID 155167929
14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176615448
5-methyl-8,12-diphenylindolo[3,2-c]carbazole
CID 176615469
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
7-(2-bromophenyl)-5,12-dimethylindolo[3,2-a]carbazole
CID 162402293
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003
2,4,9-trimethylcarbazole
CID 12613661
ethane;bis(9-methylcarbazole)
CID 159710949

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole (CID 139052416) is 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole is Cn1ccc2c3c4ccccc4n(C)c3cc(-c3ccccc3)c21.
What is the InChIKey of 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole?
The InChIKey is DQVMXXQNNBFVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-23-13-12-17-21-16-10-6-7-11-19(16)24(2)20(21)14-18(22(17)23)15-8-4-3-5-9-15/h3-14H,1-2H3.
What are the key properties of 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole?
3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole has a molecular weight of 310.40 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-phenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 139052416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).