2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine

C25H19N3 — CID 174357346

IUPAC2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine
SMILESCc1nc(Cn2c3ccccc3c3ccccc32)nc2c1-c1ccccc1C2
InChIInChI=1S/C25H19N3/c1-16-25-18-9-3-2-8-17(18)14-21(25)27-24(26-16)15-28-22-12-6-4-10-19(22)20-11-5-7-13-23(20)28/h2-13H,14-15H2,1H3
InChIKeyFPRZWQPYPQDFGE-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.51
Rot. Bonds2

About 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine

2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine (PubChem CID 174357346) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine
PubChem CID174357346
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine
SMILESCc1nc(Cn2c3ccccc3c3ccccc32)nc2c1-c1ccccc1C2
InChIInChI=1S/C25H19N3/c1-16-25-18-9-3-2-8-17(18)14-21(25)27-24(26-16)15-28-22-12-6-4-10-19(22)20-11-5-7-13-23(20)28/h2-13H,14-15H2,1H3
InChIKeyFPRZWQPYPQDFGE-UHFFFAOYSA-N
XLogP5.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9H-fluoren-3-ylmethyl)carbazole
CID 71232525
3,5-diethyl-4H-pyrazole;9-ethylcarbazole;9H-fluorene
CID 162241948
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122463997
ethane;bis(9-ethylcarbazole);bis(9H-fluorene);methylboronic acid;propane
CID 161193308
5-prop-2-enyl-10H-indeno[1,2-b]indole
CID 18424932
5-methyl-6H-indeno[2,1-b]indole
CID 13129411
12-propan-2-yl-7H-indeno[1,2-a]carbazole
CID 129063021
3-ethyl-9-(9H-fluoren-1-ylmethyl)carbazole
CID 118149246
2-ethyl-9-(9H-fluoren-1-ylmethyl)carbazole
CID 118149244
1-ethyl-9-(9H-fluoren-1-ylmethyl)carbazole
CID 118149245
4-(4-phenyl-9H-indeno[2,1-d]pyrimidin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122469719
2,4-diethyl-5H-indeno[1,2-d]pyrimidine;2,4-diethyl-9H-indeno[2,1-d]pyrimidine;ethane;propane
CID 158396415

Frequently Asked Questions

What is the IUPAC name of 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine?
The IUPAC name of 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine (CID 174357346) is 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine?
The canonical SMILES for 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine is Cc1nc(Cn2c3ccccc3c3ccccc32)nc2c1-c1ccccc1C2.
What is the InChIKey of 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine?
The InChIKey is FPRZWQPYPQDFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-16-25-18-9-3-2-8-17(18)14-21(25)27-24(26-16)15-28-22-12-6-4-10-19(22)20-11-5-7-13-23(20)28/h2-13H,14-15H2,1H3.
What are the key properties of 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine?
2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbazol-9-ylmethyl)-4-methyl-9H-indeno[2,1-d]pyrimidine is sourced from PubChem (CID 174357346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).