5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one

C36H20N4O — CID 147718038

IUPAC5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
SMILESO=C1c2cccnc2-c2nccc3c2c1nc1cc(-n2c4ccccc4c4cc(-c5ccccc5)ccc42)ccc13
InChIInChI=1S/C36H20N4O/c41-36-27-10-6-17-37-33(27)34-32-26(16-18-38-34)24-14-13-23(20-29(24)39-35(32)36)40-30-11-5-4-9-25(30)28-19-22(12-15-31(28)40)21-7-2-1-3-8-21/h1-20H
InChIKeyGWADMAYOWHWLDA-UHFFFAOYSA-N
MW524.58 g/mol
LogP8.15
Rot. Bonds2

About 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one

5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one (PubChem CID 147718038) has the molecular formula C36H20N4O and a molecular weight of 524.58 g/mol. Its IUPAC name is 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one.

Molecular Properties

Compound Name5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
PubChem CID147718038
Molecular FormulaC36H20N4O
Molecular Weight524.58 g/mol
Exact Mass524.16
IUPAC Name5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
SMILESO=C1c2cccnc2-c2nccc3c2c1nc1cc(-n2c4ccccc4c4cc(-c5ccccc5)ccc42)ccc13
InChIInChI=1S/C36H20N4O/c41-36-27-10-6-17-37-33(27)34-32-26(16-18-38-34)24-14-13-23(20-29(24)39-35(32)36)40-30-11-5-4-9-25(30)28-19-22(12-15-31(28)40)21-7-2-1-3-8-21/h1-20H
InChIKeyGWADMAYOWHWLDA-UHFFFAOYSA-N
XLogP8.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one with MolForge

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Related Compounds

6-(3-phenylphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 134604690
12-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326449
3-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326206
4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326137
16-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-thia-10,20-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 134604657
3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326127
7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130326265
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
11-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326454
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one?
The IUPAC name of 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one (CID 147718038) is 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one.
What is the SMILES notation for 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one?
The canonical SMILES for 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one is O=C1c2cccnc2-c2nccc3c2c1nc1cc(-n2c4ccccc4c4cc(-c5ccccc5)ccc42)ccc13.
What is the InChIKey of 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one?
The InChIKey is GWADMAYOWHWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O/c41-36-27-10-6-17-37-33(27)34-32-26(16-18-38-34)24-14-13-23(20-29(24)39-35(32)36)40-30-11-5-4-9-25(30)28-19-22(12-15-31(28)40)21-7-2-1-3-8-21/h1-20H.
What are the key properties of 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one?
5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one has a molecular weight of 524.58 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylcarbazol-9-yl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one is sourced from PubChem (CID 147718038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).