3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine

C38H27N3O — CID 166945107

IUPAC3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2ccc(C3Nc4c(oc5ccccc45)NC3n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C38H27N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)35-37(40-38-36(39-35)30-15-7-9-17-34(30)42-38)41-32-16-8-6-14-29(32)31-22-27-12-4-5-13-28(27)23-33(31)41/h1-23,35,37,39-40H
InChIKeyJEPBHMOFFGDNAC-UHFFFAOYSA-N
MW541.65 g/mol
LogP10.14
Rot. Bonds3

About 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine

3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine (PubChem CID 166945107) has the molecular formula C38H27N3O and a molecular weight of 541.65 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine
PubChem CID166945107
Molecular FormulaC38H27N3O
Molecular Weight541.65 g/mol
Exact Mass541.22
IUPAC Name3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2ccc(C3Nc4c(oc5ccccc45)NC3n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C38H27N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)35-37(40-38-36(39-35)30-15-7-9-17-34(30)42-38)41-32-16-8-6-14-29(32)31-22-27-12-4-5-13-28(27)23-33(31)41/h1-23,35,37,39-40H
InChIKeyJEPBHMOFFGDNAC-UHFFFAOYSA-N
XLogP10.14
TPSA42.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 510.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 166945382
9-[2-dibenzofuran-3-yl-5,6-dimethyl-7-[4-(3-phenylphenyl)phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-4-yl]carbazole
CID 174245249
5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167042967
5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699128
12-[3-[3-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydroquinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163633279
2-(4-benzo[b]carbazol-5-ylphenyl)-4-(9-phenylcarbazol-3-yl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 137433590
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
5-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347318
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916089
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine (CID 166945107) is 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine is c1ccc(-c2ccc(C3Nc4c(oc5ccccc45)NC3n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is JEPBHMOFFGDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O/c1-2-10-24(11-3-1)25-18-20-26(21-19-25)35-37(40-38-36(39-35)30-15-7-9-17-34(30)42-38)41-32-16-8-6-14-29(32)31-22-27-12-4-5-13-28(27)23-33(31)41/h1-23,35,37,39-40H.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 541.65 g/mol, XLogP of 10.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 166945107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).