10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

C31H21N3 — CID 155393923

IUPAC10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3c(c2)c2ccccc2c2nc4ccccc4n32)CC1
InChIInChI=1S/C31H21N3/c1-2-12-24-21(9-1)25-19-20(17-18-29(25)34-30-16-8-5-13-26(30)32-31(24)34)33-27-14-6-3-10-22(27)23-11-4-7-15-28(23)33/h1-3,5-10,12-19H,4,11H2
InChIKeyMUGIWECRTNZTJU-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.70
Rot. Bonds1

About 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (PubChem CID 155393923) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.

Molecular Properties

Compound Name10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
PubChem CID155393923
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3c(c2)c2ccccc2c2nc4ccccc4n32)CC1
InChIInChI=1S/C31H21N3/c1-2-12-24-21(9-1)25-19-20(17-18-29(25)34-30-16-8-5-13-26(30)32-31(24)34)33-27-14-6-3-10-22(27)23-11-4-7-15-28(23)33/h1-3,5-10,12-19H,4,11H2
InChIKeyMUGIWECRTNZTJU-UHFFFAOYSA-N
XLogP7.70
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene with MolForge

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Related Compounds

4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 70884353
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)naphthalen-1-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58281870
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-triphenylen-2-yl-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 142565570
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
The IUPAC name of 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (CID 155393923) is 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.
What is the SMILES notation for 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
The canonical SMILES for 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is C1=Cc2c(c3ccccc3n2-c2ccc3c(c2)c2ccccc2c2nc4ccccc4n32)CC1.
What is the InChIKey of 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
The InChIKey is MUGIWECRTNZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c1-2-12-24-21(9-1)25-19-20(17-18-29(25)34-30-16-8-5-13-26(30)32-31(24)34)33-27-14-6-3-10-22(27)23-11-4-7-15-28(23)33/h1-3,5-10,12-19H,4,11H2.
What are the key properties of 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?
10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene has a molecular weight of 435.53 g/mol, XLogP of 7.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydrocarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 155393923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).