3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C43H24N2O — CID 130326018

IUPAC3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccc9ccccc9c8c7c6)ccc54)nc-2c13
InChIInChI=1S/C43H24N2O/c1-2-10-29-25(8-1)17-21-39-42(29)35-23-27(18-20-38(35)46-39)26-16-19-37-34(22-26)31-12-5-6-15-36(31)45(37)40-24-28-9-7-14-32-30-11-3-4-13-33(30)43(44-40)41(28)32/h1-24H
InChIKeyLGJUXEYQYMBGIS-UHFFFAOYSA-N
MW584.68 g/mol
LogP11.70
Rot. Bonds2

About 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 130326018) has the molecular formula C43H24N2O and a molecular weight of 584.68 g/mol. Its IUPAC name is 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID130326018
Molecular FormulaC43H24N2O
Molecular Weight584.68 g/mol
Exact Mass584.19
IUPAC Name3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccc9ccccc9c8c7c6)ccc54)nc-2c13
InChIInChI=1S/C43H24N2O/c1-2-10-29-25(8-1)17-21-39-42(29)35-23-27(18-20-38(35)46-39)26-16-19-37-34(22-26)31-12-5-6-15-36(31)45(37)40-24-28-9-7-14-32-30-11-3-4-13-33(30)43(44-40)41(28)32/h1-24H
InChIKeyLGJUXEYQYMBGIS-UHFFFAOYSA-N
XLogP11.70
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325999
3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326007
4-[3-(3-naphtho[2,1-b][1]benzofuran-10-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 130325707
3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325755
7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130330976
9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole
CID 145167490
2-[9-(2,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326094
10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326125
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301039
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122434744

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 130326018) is 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccc9ccccc9c8c7c6)ccc54)nc-2c13.
What is the InChIKey of 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is LGJUXEYQYMBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O/c1-2-10-29-25(8-1)17-21-39-42(29)35-23-27(18-20-38(35)46-39)26-16-19-37-34(22-26)31-12-5-6-15-36(31)45(37)40-24-28-9-7-14-32-30-11-3-4-13-33(30)43(44-40)41(28)32/h1-24H.
What are the key properties of 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 584.68 g/mol, XLogP of 11.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 130326018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).