5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene

C34H26N2 — CID 138453883

IUPAC5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3c4ccc(c3c2c1)CCc1ccc(cc1)CC4
InChIInChI=1S/C34H26N2/c1-3-7-31-27(5-1)28-6-2-4-8-32(28)36(31)26-19-20-30-29(21-26)33-24-15-13-22-9-11-23(12-10-22)14-16-25(18-17-24)34(33)35-30/h1-12,17-21,35H,13-16H2
InChIKeyRMDJFIMGJGNTAQ-UHFFFAOYSA-N
MW462.60 g/mol
LogP8.30
Rot. Bonds1

About 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene

5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene (PubChem CID 138453883) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene.

Molecular Properties

Compound Name5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
PubChem CID138453883
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3c4ccc(c3c2c1)CCc1ccc(cc1)CC4
InChIInChI=1S/C34H26N2/c1-3-7-31-27(5-1)28-6-2-4-8-32(28)36(31)26-19-20-30-29(21-26)33-24-15-13-22-9-11-23(12-10-22)14-16-25(18-17-24)34(33)35-30/h1-12,17-21,35H,13-16H2
InChIKeyRMDJFIMGJGNTAQ-UHFFFAOYSA-N
XLogP8.30
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene with MolForge

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Related Compounds

3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
2-carbazol-9-yl-6-phenyl-5H-indolizino[2,1-b]indole
CID 142731155
6,9-diazapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
CID 170459366
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-carbazol-9-yl-6-(2,4,6-trimethylphenyl)-9H-carbazole
CID 146281218
2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole
CID 59147053
9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
CID 169408875
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
6-phenyl-2-(6-phenylindolizino[2,1-b]indol-5-yl)-5H-indolizino[2,1-b]indole
CID 142731093
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
The IUPAC name of 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene (CID 138453883) is 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene.
What is the SMILES notation for 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
The canonical SMILES for 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene is c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3c4ccc(c3c2c1)CCc1ccc(cc1)CC4.
What is the InChIKey of 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
The InChIKey is RMDJFIMGJGNTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-3-7-31-27(5-1)28-6-2-4-8-32(28)36(31)26-19-20-30-29(21-26)33-24-15-13-22-9-11-23(12-10-22)14-16-25(18-17-24)34(33)35-30/h1-12,17-21,35H,13-16H2.
What are the key properties of 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene?
5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene has a molecular weight of 462.60 g/mol, XLogP of 8.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene is sourced from PubChem (CID 138453883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).