4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C38H22N4 — CID 122466267

IUPAC4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1cc2c3c(ccc(-n4c5ccccc5c5ccccc54)c3c1)-c1cnc(-n3c4ccccc4c4ccccc43)nc1-2
InChIInChI=1S/C38H22N4/c1-5-16-31-23(10-1)24-11-2-6-17-32(24)41(31)35-21-20-27-30-22-39-38(40-37(30)29-15-9-14-28(35)36(27)29)42-33-18-7-3-12-25(33)26-13-4-8-19-34(26)42/h1-22H
InChIKeyZDCUCPKOPXEOKQ-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.47
Rot. Bonds2

About 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 122466267) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID122466267
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1cc2c3c(ccc(-n4c5ccccc5c5ccccc54)c3c1)-c1cnc(-n3c4ccccc4c4ccccc43)nc1-2
InChIInChI=1S/C38H22N4/c1-5-16-31-23(10-1)24-11-2-6-17-32(24)41(31)35-21-20-27-30-22-39-38(40-37(30)29-15-9-14-28(35)36(27)29)42-33-18-7-3-12-25(33)26-13-4-8-19-34(26)42/h1-22H
InChIKeyZDCUCPKOPXEOKQ-UHFFFAOYSA-N
XLogP9.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbazol-9-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413747
2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
CID 121475489
4-(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 130326305
9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine
CID 158061606
6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
23-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 130259612
11-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-4-yl)-[1]benzothiolo[3,2-b]carbazole
CID 138569013
22-fluoranthen-3-yl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212714
12-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-4-yl)-[1]benzothiolo[3,2-a]carbazole
CID 138569003
4-(4-carbazol-9-ylnaphthalen-1-yl)-12,13-diisothiocyanato-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 145413748
4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466364
9-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130260221

Frequently Asked Questions

What is the IUPAC name of 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 122466267) is 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1cc2c3c(ccc(-n4c5ccccc5c5ccccc54)c3c1)-c1cnc(-n3c4ccccc4c4ccccc43)nc1-2.
What is the InChIKey of 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is ZDCUCPKOPXEOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c1-5-16-31-23(10-1)24-11-2-6-17-32(24)41(31)35-21-20-27-30-22-39-38(40-37(30)29-15-9-14-28(35)36(27)29)42-33-18-7-3-12-25(33)26-13-4-8-19-34(26)42/h1-22H.
What are the key properties of 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 534.62 g/mol, XLogP of 9.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 122466267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).