8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C40H32N4 — CID 146522510

IUPAC8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc([C@H]2CCCCC2c2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1
InChIInChI=1S/C40H32N4/c1-2-8-32(28-15-19-30(20-16-28)44-39-21-23-41-25-35(39)36-26-42-24-22-40(36)44)31(7-1)27-13-17-29(18-14-27)43-37-11-5-3-9-33(37)34-10-4-6-12-38(34)43/h3-6,9-26,31-32H,1-2,7-8H2/t31-,32?/m1/s1
InChIKeyUVWQJYKIDNRZAJ-XGDNGBMYSA-N
MW568.72 g/mol
LogP10.11
Rot. Bonds4

About 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 146522510) has the molecular formula C40H32N4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID146522510
Molecular FormulaC40H32N4
Molecular Weight568.72 g/mol
Exact Mass568.26
IUPAC Name8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc([C@H]2CCCCC2c2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1
InChIInChI=1S/C40H32N4/c1-2-8-32(28-15-19-30(20-16-28)44-39-21-23-41-25-35(39)36-26-42-24-22-40(36)44)31(7-1)27-13-17-29(18-14-27)43-37-11-5-3-9-33(37)34-10-4-6-12-38(34)43/h3-6,9-26,31-32H,1-2,7-8H2/t31-,32?/m1/s1
InChIKeyUVWQJYKIDNRZAJ-XGDNGBMYSA-N
XLogP10.11
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 146522510) is 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)c1ccccc1n2-c1ccc([C@H]2CCCCC2c2ccc(-n3c4ccncc4c4cnccc43)cc2)cc1.
What is the InChIKey of 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is UVWQJYKIDNRZAJ-XGDNGBMYSA-N. The full InChI is InChI=1S/C40H32N4/c1-2-8-32(28-15-19-30(20-16-28)44-39-21-23-41-25-35(39)36-26-42-24-22-40(36)44)31(7-1)27-13-17-29(18-14-27)43-37-11-5-3-9-33(37)34-10-4-6-12-38(34)43/h3-6,9-26,31-32H,1-2,7-8H2/t31-,32?/m1/s1.
What are the key properties of 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 568.72 g/mol, XLogP of 10.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 146522510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).