2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine

C29H19N3O — CID 130266702

IUPAC2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C29H19N3O/c1-18-30-28(27-22-12-6-8-14-26(22)33-29(27)31-18)19-15-16-25-23(17-19)21-11-5-7-13-24(21)32(25)20-9-3-2-4-10-20/h2-17H,1H3
InChIKeyMUSKUWPCITZPLV-UHFFFAOYSA-N
MW425.49 g/mol
LogP7.45
Rot. Bonds2

About 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine

2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 130266702) has the molecular formula C29H19N3O and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID130266702
Molecular FormulaC29H19N3O
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(n1)oc1ccccc12
InChIInChI=1S/C29H19N3O/c1-18-30-28(27-22-12-6-8-14-26(22)33-29(27)31-18)19-15-16-25-23(17-19)21-11-5-7-13-24(21)32(25)20-9-3-2-4-10-20/h2-17H,1H3
InChIKeyMUSKUWPCITZPLV-UHFFFAOYSA-N
XLogP7.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130258102
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 163454838
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 163495348
5-[2-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]benzene-1,3-dicarbonitrile
CID 167250856
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129224914
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
24-(9-phenylcarbazol-3-yl)-9-oxa-25-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 126702233
11,14-bis(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513515
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050861
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 134403705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine (CID 130266702) is 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine is Cc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is MUSKUWPCITZPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O/c1-18-30-28(27-22-12-6-8-14-26(22)33-29(27)31-18)19-15-16-25-23(17-19)21-11-5-7-13-24(21)32(25)20-9-3-2-4-10-20/h2-17H,1H3.
What are the key properties of 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine?
2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 425.49 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 130266702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).