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

C33H20N2 — CID 130326305

IUPAC4-(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
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(cccc24)-c2ncccc2-3)cc1
InChIInChI=1S/C33H20N2/c1-2-8-21(9-3-1)22-15-17-31-28(20-22)23-10-4-5-14-29(23)35(31)30-18-16-24-25-13-7-19-34-33(25)27-12-6-11-26(30)32(24)27/h1-20H
InChIKeyKSPPOKIJEOMQCS-UHFFFAOYSA-N
MW444.54 g/mol
LogP8.65
Rot. Bonds2

About 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

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 (PubChem CID 130326305) has the molecular formula C33H20N2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID130326305
Molecular FormulaC33H20N2
Molecular Weight444.54 g/mol
Exact Mass444.16
IUPAC Name4-(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
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(cccc24)-c2ncccc2-3)cc1
InChIInChI=1S/C33H20N2/c1-2-8-21(9-3-1)22-15-17-31-28(20-22)23-10-4-5-14-29(23)35(31)30-18-16-24-25-13-7-19-34-33(25)27-12-6-11-26(30)32(24)27/h1-20H
InChIKeyKSPPOKIJEOMQCS-UHFFFAOYSA-N
XLogP8.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

8-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326359
12-[7-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-6-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
CID 130330982
3-(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 130326206
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326137
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 145167603
7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326402
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
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
2-[9-(3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-4-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326154

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c4c(cccc24)-c2ncccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is KSPPOKIJEOMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2/c1-2-8-21(9-3-1)22-15-17-31-28(20-22)23-10-4-5-14-29(23)35(31)30-18-16-24-25-13-7-19-34-33(25)27-12-6-11-26(30)32(24)27/h1-20H.
What are the key properties of 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?
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 has a molecular weight of 444.54 g/mol, XLogP of 8.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130326305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).