3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole

C48H28N2S2 — CID 59147141

IUPAC3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4ccc(-c5ccc6sc7c(ccc8c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc9sc87)c6c5)cc4c3c2)cc1
InChIInChI=1S/C48H28N2S2/c1-2-8-28(9-3-1)29-14-20-41-37(24-29)38-25-30(15-21-42(38)49-41)31-16-22-45-39(26-31)35-18-19-36-40-27-32(17-23-46(40)52-48(36)47(35)51-45)50-43-12-6-4-10-33(43)34-11-5-7-13-44(34)50/h1-27,49H
InChIKeySKTVQSMWCFMIIC-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.49
Rot. Bonds3

About 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole

3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole (PubChem CID 59147141) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole.

Molecular Properties

Compound Name3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole
PubChem CID59147141
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4ccc(-c5ccc6sc7c(ccc8c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc9sc87)c6c5)cc4c3c2)cc1
InChIInChI=1S/C48H28N2S2/c1-2-8-28(9-3-1)29-14-20-41-37(24-29)38-25-30(15-21-42(38)49-41)31-16-22-45-39(26-31)35-18-19-36-40-27-32(17-23-46(40)52-48(36)47(35)51-45)50-43-12-6-4-10-33(43)34-11-5-7-13-44(34)50/h1-27,49H
InChIKeySKTVQSMWCFMIIC-UHFFFAOYSA-N
XLogP14.49
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole with MolForge

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Related Compounds

9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl]carbazole
CID 162781391
9-(9H-carbazol-2-yl)-2-phenylcarbazole
CID 170086059
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731

Frequently Asked Questions

What is the IUPAC name of 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole?
The IUPAC name of 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole (CID 59147141) is 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole.
What is the SMILES notation for 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole?
The canonical SMILES for 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole is c1ccc(-c2ccc3[nH]c4ccc(-c5ccc6sc7c(ccc8c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc9sc87)c6c5)cc4c3c2)cc1.
What is the InChIKey of 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole?
The InChIKey is SKTVQSMWCFMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-2-8-28(9-3-1)29-14-20-41-37(24-29)38-25-30(15-21-42(38)49-41)31-16-22-45-39(26-31)35-18-19-36-40-27-32(17-23-46(40)52-48(36)47(35)51-45)50-43-12-6-4-10-33(43)34-11-5-7-13-44(34)50/h1-27,49H.
What are the key properties of 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole?
3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole has a molecular weight of 696.90 g/mol, XLogP of 14.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole is sourced from PubChem (CID 59147141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).