7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

C58H37N3S — CID 170651946

IUPAC7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILESc1cc2cc(c1)N(c1ccc3c(c1)sc1ccccc13)c1cccc(c1)-c1cccc(c1)N(c1ccc3c4ccccc4n(-c4cccc5ccccc45)c3c1)c1cccc-2c1
InChIInChI=1S/C58H37N3S/c1-2-22-49-38(12-1)13-11-26-54(49)61-55-25-5-3-23-50(55)51-30-28-47(36-56(51)61)59-43-18-7-14-39(32-43)41-16-9-20-45(34-41)60(46-21-10-17-42(35-46)40-15-8-19-44(59)33-40)48-29-31-53-52-24-4-6-27-57(52)62-58(53)37-48/h1-37H
InChIKeyCEXBGQVKDKALEG-UHFFFAOYSA-N
MW808.02 g/mol
LogP16.89
Rot. Bonds3

About 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (PubChem CID 170651946) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.

Molecular Properties

Compound Name7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
PubChem CID170651946
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC Name7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILESc1cc2cc(c1)N(c1ccc3c(c1)sc1ccccc13)c1cccc(c1)-c1cccc(c1)N(c1ccc3c4ccccc4n(-c4cccc5ccccc45)c3c1)c1cccc-2c1
InChIInChI=1S/C58H37N3S/c1-2-22-49-38(12-1)13-11-26-54(49)61-55-25-5-3-23-50(55)51-30-28-47(36-56(51)61)59-43-18-7-14-39(32-43)41-16-9-20-45(34-41)60(46-21-10-17-42(35-46)40-15-8-19-44(59)33-40)48-29-31-53-52-24-4-6-27-57(52)62-58(53)37-48/h1-37H
InChIKeyCEXBGQVKDKALEG-UHFFFAOYSA-N
XLogP16.89
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.02
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene with MolForge

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Related Compounds

3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
7-dibenzothiophen-3-yl-24,24-dimethyl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652093
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165044715
7-dibenzothiophen-3-yl-24,24-dimethyl-18-(9-phenylcarbazol-2-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651984
7,18-bis(9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651750
3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole
CID 122666250
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 158774946
1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807680

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The IUPAC name of 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (CID 170651946) is 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.
What is the SMILES notation for 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The canonical SMILES for 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is c1cc2cc(c1)N(c1ccc3c(c1)sc1ccccc13)c1cccc(c1)-c1cccc(c1)N(c1ccc3c4ccccc4n(-c4cccc5ccccc45)c3c1)c1cccc-2c1.
What is the InChIKey of 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The InChIKey is CEXBGQVKDKALEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-2-22-49-38(12-1)13-11-26-54(49)61-55-25-5-3-23-50(55)51-30-28-47(36-56(51)61)59-43-18-7-14-39(32-43)41-16-9-20-45(34-41)60(46-21-10-17-42(35-46)40-15-8-19-44(59)33-40)48-29-31-53-52-24-4-6-27-57(52)62-58(53)37-48/h1-37H.
What are the key properties of 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene has a molecular weight of 808.02 g/mol, XLogP of 16.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is sourced from PubChem (CID 170651946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).