9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole

C38H25NOS — CID 121441427

IUPAC9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CSC4)cc12
InChIInChI=1S/C38H25NOS/c1-4-10-35-30(7-1)31-8-2-5-11-36(31)39(35)28-16-17-29-27(19-28)23-41-22-26-14-13-24(20-33(26)29)25-15-18-38-34(21-25)32-9-3-6-12-37(32)40-38/h1-21H,22-23H2
InChIKeyNHXQEDIBVWXOJF-UHFFFAOYSA-N
MW543.69 g/mol
LogP10.76
Rot. Bonds2

About 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole

9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole (PubChem CID 121441427) has the molecular formula C38H25NOS and a molecular weight of 543.69 g/mol. Its IUPAC name is 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole.

Molecular Properties

Compound Name9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
PubChem CID121441427
Molecular FormulaC38H25NOS
Molecular Weight543.69 g/mol
Exact Mass543.17
IUPAC Name9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CSC4)cc12
InChIInChI=1S/C38H25NOS/c1-4-10-35-30(7-1)31-8-2-5-11-36(31)39(35)28-16-17-29-27(19-28)23-41-22-26-14-13-24(20-33(26)29)25-15-18-38-34(21-25)32-9-3-6-12-37(32)40-38/h1-21H,22-23H2
InChIKeyNHXQEDIBVWXOJF-UHFFFAOYSA-N
XLogP10.76
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.69
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)carbazole
CID 121441526
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)carbazole-3-carbonitrile
CID 121443034
bis(9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-3-isocyanocarbazole);9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-3-isocyanocarbazole
CID 160534888
9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
10-dibenzofuran-2-yl-3-(3-isocyanocarbazol-9-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 140727871
9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole
CID 159458201
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole?
The IUPAC name of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole (CID 121441427) is 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole.
What is the SMILES notation for 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole?
The canonical SMILES for 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3ccc(-n5c6ccccc6c6ccccc65)cc3CSC4)cc12.
What is the InChIKey of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole?
The InChIKey is NHXQEDIBVWXOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NOS/c1-4-10-35-30(7-1)31-8-2-5-11-36(31)39(35)28-16-17-29-27(19-28)23-41-22-26-14-13-24(20-33(26)29)25-15-18-38-34(21-25)32-9-3-6-12-37(32)40-38/h1-21H,22-23H2.
What are the key properties of 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole?
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole has a molecular weight of 543.69 g/mol, XLogP of 10.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole is sourced from PubChem (CID 121441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).