5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene

C45H29N3 — CID 132542295

IUPAC5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene
SMILESCn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3c(ccc4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc21
InChIInChI=1S/C45H29N3/c1-46-38-25-23-31(48-41-16-8-4-12-34(41)35-13-5-9-17-42(35)48)27-37(38)45-43(46)24-21-29-19-18-28-20-22-30(26-36(28)44(29)45)47-39-14-6-2-10-32(39)33-11-3-7-15-40(33)47/h2-27H,1H3
InChIKeyGVCITSZAAOMOKL-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.83
Rot. Bonds2

About 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene

5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene (PubChem CID 132542295) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene.

Molecular Properties

Compound Name5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene
PubChem CID132542295
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene
SMILESCn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3c(ccc4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc21
InChIInChI=1S/C45H29N3/c1-46-38-25-23-31(48-41-16-8-4-12-34(41)35-13-5-9-17-42(35)48)27-37(38)45-43(46)24-21-29-19-18-28-20-22-30(26-36(28)44(29)45)47-39-14-6-2-10-32(39)33-11-3-7-15-40(33)47/h2-27H,1H3
InChIKeyGVCITSZAAOMOKL-UHFFFAOYSA-N
XLogP11.83
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene with MolForge

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Related Compounds

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9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
CID 71232688
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
17-methyl-12,22-diphenyl-12,17,22-triazaheptacyclo[16.13.0.02,16.03,13.06,11.021,31.023,28]hentriaconta-1(18),2(16),3(13),4,6,8,10,14,19,21(31),23,25,27,29-tetradecaene
CID 163935519
10-carbazol-9-yl-7-iodobenzo[c]carbazole
CID 163563060
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
1,8-di(carbazol-9-yl)-9-methylcarbazole;2,7-di(carbazol-9-yl)-9-methylcarbazole;3,6-di(carbazol-9-yl)-9-methylcarbazole
CID 159435151
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
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2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene?
The IUPAC name of 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene (CID 132542295) is 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene.
What is the SMILES notation for 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene?
The canonical SMILES for 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene is Cn1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2c3c(ccc4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc21.
What is the InChIKey of 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene?
The InChIKey is GVCITSZAAOMOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-46-38-25-23-31(48-41-16-8-4-12-34(41)35-13-5-9-17-42(35)48)27-37(38)45-43(46)24-21-29-19-18-28-20-22-30(26-36(28)44(29)45)47-39-14-6-2-10-32(39)33-11-3-7-15-40(33)47/h2-27H,1H3.
What are the key properties of 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene?
5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene has a molecular weight of 611.75 g/mol, XLogP of 11.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene is sourced from PubChem (CID 132542295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).