7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C44H26N2OS2 — CID 90078450

IUPAC7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cc8c(s7)c7sccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C44H26N2OS2/c1-3-9-30(10-4-1)45-36-14-8-7-13-32(36)33-23-27(15-18-37(33)45)28-16-19-40-34(24-28)35-25-29(17-20-41(35)47-40)42-26-39-44(49-42)43-38(21-22-48-43)46(39)31-11-5-2-6-12-31/h1-26H
InChIKeyIFEJFVIYEBXPPP-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.24
Rot. Bonds4

About 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 90078450) has the molecular formula C44H26N2OS2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID90078450
Molecular FormulaC44H26N2OS2
Molecular Weight662.84 g/mol
Exact Mass662.15
IUPAC Name7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cc8c(s7)c7sccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C44H26N2OS2/c1-3-9-30(10-4-1)45-36-14-8-7-13-32(36)33-23-27(15-18-37(33)45)28-16-19-40-34(24-28)35-25-29(17-20-41(35)47-40)42-26-39-44(49-42)43-38(21-22-48-43)46(39)31-11-5-2-6-12-31/h1-26H
InChIKeyIFEJFVIYEBXPPP-UHFFFAOYSA-N
XLogP13.24
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

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Related Compounds

7-phenyl-4-[4-[9-phenyl-6-(7-phenyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)carbazol-3-yl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 90078339
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
CID 144587911
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 90078450) is 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-c7cc8c(s7)c7sccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is IFEJFVIYEBXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2OS2/c1-3-9-30(10-4-1)45-36-14-8-7-13-32(36)33-23-27(15-18-37(33)45)28-16-19-40-34(24-28)35-25-29(17-20-41(35)47-40)42-26-39-44(49-42)43-38(21-22-48-43)46(39)31-11-5-2-6-12-31/h1-26H.
What are the key properties of 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 662.84 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 90078450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).