4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene

C38H22N2Se — CID 176682192

IUPAC4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene
SMILESc1cc(-c2cc3c4cccc5ccc6c7ccccc7n(c3[se]2)c6c54)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22N2Se/c1-4-16-32-26(12-1)27-13-2-5-17-33(27)39(32)25-11-7-10-24(21-25)35-22-31-29-15-8-9-23-19-20-30-28-14-3-6-18-34(28)40(38(31)41-35)37(30)36(23)29/h1-22H
InChIKeyGNSXJGKGJAHSRR-UHFFFAOYSA-N
MW585.57 g/mol
LogP9.81
Rot. Bonds2

About 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene

4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene (PubChem CID 176682192) has the molecular formula C38H22N2Se and a molecular weight of 585.57 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene
PubChem CID176682192
Molecular FormulaC38H22N2Se
Molecular Weight585.57 g/mol
Exact Mass586.09
IUPAC Name4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene
SMILESc1cc(-c2cc3c4cccc5ccc6c7ccccc7n(c3[se]2)c6c54)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C38H22N2Se/c1-4-16-32-26(12-1)27-13-2-5-17-33(27)39(32)25-11-7-10-24(21-25)35-22-31-29-15-8-9-23-19-20-30-28-14-3-6-18-34(28)40(38(31)41-35)37(30)36(23)29/h1-22H
InChIKeyGNSXJGKGJAHSRR-UHFFFAOYSA-N
XLogP9.81
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.57
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene with MolForge

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Related Compounds

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15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene (CID 176682192) is 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene is c1cc(-c2cc3c4cccc5ccc6c7ccccc7n(c3[se]2)c6c54)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene?
The InChIKey is GNSXJGKGJAHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2Se/c1-4-16-32-26(12-1)27-13-2-5-17-33(27)39(32)25-11-7-10-24(21-25)35-22-31-29-15-8-9-23-19-20-30-28-14-3-6-18-34(28)40(38(31)41-35)37(30)36(23)29/h1-22H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene?
4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene has a molecular weight of 585.57 g/mol, XLogP of 9.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-3-selena-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene is sourced from PubChem (CID 176682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).