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

C45H26N2O — CID 130325755

IUPAC3-[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
SMILESc1cc(-c2cc3cccc4c3c(n2)-c2ccccc2-4)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C45H26N2O/c1-2-15-36-32(12-1)35-16-8-10-30-26-39(46-45(36)44(30)35)29-9-7-11-31(23-29)47-40-17-5-3-13-33(40)37-24-27(19-21-41(37)47)28-20-22-43-38(25-28)34-14-4-6-18-42(34)48-43/h1-26H
InChIKeyFXQWTLQJMCFXHY-UHFFFAOYSA-N
MW610.72 g/mol
LogP12.21
Rot. Bonds3

About 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

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 (PubChem CID 130325755) has the molecular formula C45H26N2O and a molecular weight of 610.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID130325755
Molecular FormulaC45H26N2O
Molecular Weight610.72 g/mol
Exact Mass610.20
IUPAC Name3-[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
SMILESc1cc(-c2cc3cccc4c3c(n2)-c2ccccc2-4)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C45H26N2O/c1-2-15-36-32(12-1)35-16-8-10-30-26-39(46-45(36)44(30)35)29-9-7-11-31(23-29)47-40-17-5-3-13-33(40)37-24-27(19-21-41(37)47)28-20-22-43-38(25-28)34-14-4-6-18-42(34)48-43/h1-26H
InChIKeyFXQWTLQJMCFXHY-UHFFFAOYSA-N
XLogP12.21
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130325764
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
3-[3-(3-dibenzothiophen-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 130325759
3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
CID 126632399
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
9-(3-dibenzofuran-2-ylphenyl)-3-(6-phenanthren-9-yldibenzofuran-2-yl)carbazole
CID 121449285
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cc3cccc4c3c(n2)-c2ccccc2-4)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is FXQWTLQJMCFXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O/c1-2-15-36-32(12-1)35-16-8-10-30-26-39(46-45(36)44(30)35)29-9-7-11-31(23-29)47-40-17-5-3-13-33(40)37-24-27(19-21-41(37)47)28-20-22-43-38(25-28)34-14-4-6-18-42(34)48-43/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 610.72 g/mol, XLogP of 12.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130325755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).