12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

C38H22N4 — CID 130326603

IUPAC12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESc1cc2c3c(ccnc3c1)-c1ncc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-2
InChIInChI=1S/C38H22N4/c1-4-13-33-25(8-1)26-9-2-5-14-34(26)41(33)23-16-17-36-30(20-23)27-10-3-6-15-35(27)42(36)24-21-31-28-11-7-12-32-37(28)29(18-19-39-32)38(31)40-22-24/h1-22H
InChIKeyVYCFRAWQHBMZBT-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.47
Rot. Bonds2

About 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene

12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (PubChem CID 130326603) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.

Molecular Properties

Compound Name12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
PubChem CID130326603
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
SMILESc1cc2c3c(ccnc3c1)-c1ncc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-2
InChIInChI=1S/C38H22N4/c1-4-13-33-25(8-1)26-9-2-5-14-34(26)41(33)23-16-17-36-30(20-23)27-10-3-6-15-35(27)42(36)24-21-31-28-11-7-12-32-37(28)29(18-19-39-32)38(31)40-22-24/h1-22H
InChIKeyVYCFRAWQHBMZBT-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 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene with MolForge

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Related Compounds

7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326598
12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
CID 130326495
5-(4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326484
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325724
7-(4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326481
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
7-(4,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-12-yl)-10-methylbenzo[c]carbazole;9-phenylcarbazole
CID 145167196
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
11-carbazol-9-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294852
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-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
CID 157053515
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996

Frequently Asked Questions

What is the IUPAC name of 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The IUPAC name of 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene (CID 130326603) is 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene.
What is the SMILES notation for 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The canonical SMILES for 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is c1cc2c3c(ccnc3c1)-c1ncc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-2.
What is the InChIKey of 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
The InChIKey is VYCFRAWQHBMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c1-4-13-33-25(8-1)26-9-2-5-14-34(26)41(33)23-16-17-36-30(20-23)27-10-3-6-15-35(27)42(36)24-21-31-28-11-7-12-32-37(28)29(18-19-39-32)38(31)40-22-24/h1-22H.
What are the key properties of 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene?
12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-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 12-(3-carbazol-9-ylcarbazol-9-yl)-4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene is sourced from PubChem (CID 130326603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).