5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

C42H27N5 — CID 140703699

About 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (PubChem CID 140703699) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

Molecular Properties

• Compound Name: 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• PubChem CID: 140703699
• Molecular Formula: C42H27N5
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.23
• IUPAC Name: 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• SMILES: c1ccc(C2(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc3-n3c(-c4cncnc4)nc4cccc2c43)cc1
• InChI: InChI=1S/C42H27N5/c1-3-12-29(13-4-1)42(30-14-5-2-6-15-30)34-18-11-19-36-40(34)47(41(45-36)28-25-43-27-44-26-28)39-23-22-31(24-35(39)42)46-37-20-9-7-16-32(37)33-17-8-10-21-38(33)46/h1-27H
• InChIKey: RJZXMNKGCGSOOE-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The IUPAC name of 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (CID 140703699) is 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

What is the SMILES notation for 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The canonical SMILES for 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is c1ccc(C2(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc3-n3c(-c4cncnc4)nc4cccc2c43)cc1.

What is the InChIKey of 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The InChIKey is RJZXMNKGCGSOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-3-12-29(13-4-1)42(30-14-5-2-6-15-30)34-18-11-19-36-40(34)47(41(45-36)28-25-43-27-44-26-28)39-23-22-31(24-35(39)42)46-37-20-9-7-16-32(37)33-17-8-10-21-38(33)46/h1-27H.

What are the key properties of 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene has a molecular weight of 601.71 g/mol, XLogP of 9.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-carbazol-9-yl-8,8-diphenyl-15-pyrimidin-5-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is sourced from PubChem (CID 140703699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).