6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole

C27H19N3 — CID 12584877

IUPAC6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
SMILESCn1c2ccccc2c2cc3c(-c4ccccc4)nnc(-c4ccccc4)c3cc21
InChIInChI=1S/C27H19N3/c1-30-24-15-9-8-14-20(24)21-16-22-23(17-25(21)30)27(19-12-6-3-7-13-19)29-28-26(22)18-10-4-2-5-11-18/h2-17H,1H3
InChIKeyLGSFBAPKZZRRLB-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.61
Rot. Bonds2

About 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole

6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole (PubChem CID 12584877) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole.

Molecular Properties

Compound Name6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
PubChem CID12584877
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
SMILESCn1c2ccccc2c2cc3c(-c4ccccc4)nnc(-c4ccccc4)c3cc21
InChIInChI=1S/C27H19N3/c1-30-24-15-9-8-14-20(24)21-16-22-23(17-25(21)30)27(19-12-6-3-7-13-19)29-28-26(22)18-10-4-2-5-11-18/h2-17H,1H3
InChIKeyLGSFBAPKZZRRLB-UHFFFAOYSA-N
XLogP6.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
ethane;bis(9-methylcarbazole)
CID 159710949
9,31-dimethyl-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-dimethyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 165036844
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
(9-methylcarbazol-2-yl)-triphenylsilane
CID 168811045
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole?
The IUPAC name of 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole (CID 12584877) is 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole.
What is the SMILES notation for 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole?
The canonical SMILES for 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole is Cn1c2ccccc2c2cc3c(-c4ccccc4)nnc(-c4ccccc4)c3cc21.
What is the InChIKey of 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole?
The InChIKey is LGSFBAPKZZRRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3/c1-30-24-15-9-8-14-20(24)21-16-22-23(17-25(21)30)27(19-12-6-3-7-13-19)29-28-26(22)18-10-4-2-5-11-18/h2-17H,1H3.
What are the key properties of 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole?
6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole has a molecular weight of 385.47 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole is sourced from PubChem (CID 12584877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).