11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene

C55H32N2OS — CID 156515027

IUPAC11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
SMILESc1ccc2cc3c(cc2c1)sc1c3cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cc2)n2c3ccccc3nc12
InChIInChI=1S/C55H32N2OS/c1-2-11-38-31-52-46(30-37(38)10-1)47-32-50(57-49-18-7-6-17-48(49)56-55(57)54(47)59-52)36-26-24-34(25-27-36)40-29-28-39(42-12-3-4-13-43(40)42)33-20-22-35(23-21-33)41-15-9-16-45-44-14-5-8-19-51(44)58-53(41)45/h1-32H
InChIKeyHYSLGIHQCRFYIN-UHFFFAOYSA-N
MW768.94 g/mol
LogP15.73
Rot. Bonds4

About 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene

11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 156515027) has the molecular formula C55H32N2OS and a molecular weight of 768.94 g/mol. Its IUPAC name is 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
PubChem CID156515027
Molecular FormulaC55H32N2OS
Molecular Weight768.94 g/mol
Exact Mass768.22
IUPAC Name11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
SMILESc1ccc2cc3c(cc2c1)sc1c3cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cc2)n2c3ccccc3nc12
InChIInChI=1S/C55H32N2OS/c1-2-11-38-31-52-46(30-37(38)10-1)47-32-50(57-49-18-7-6-17-48(49)56-55(57)54(47)59-52)36-26-24-34(25-27-36)40-29-28-39(42-12-3-4-13-43(40)42)33-20-22-35(23-21-33)41-15-9-16-45-44-14-5-8-19-51(44)58-53(41)45/h1-32H
InChIKeyHYSLGIHQCRFYIN-UHFFFAOYSA-N
XLogP15.73
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.94
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene with MolForge

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Related Compounds

15-(4-dibenzofuran-4-ylphenyl)-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 156514867
11-[4-[4-(4-benzo[h]quinolin-6-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
CID 156515032
11-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
CID 156515028
15-(4-dibenzothiophen-4-ylphenyl)-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 156514900
11-[4-(4-phenanthridin-3-ylnaphthalen-1-yl)phenyl]-20-thia-3,10-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 156514984
15-[4-(4-carbazol-9-ylphenyl)phenyl]-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 156514683
3-[4-[4-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-12-thia-2,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,26.019,24]octacosa-1(16),3,5(13),6,8,10,14,17,19,21,23,25,27-tridecaene
CID 156515234
5-(4-dibenzothiophen-4-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128243
11-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-thia-3,10-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
CID 156514602
6-(2-dibenzofuran-4-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-[2-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-(2-dibenzothiophen-3-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline;6-[2-(4-dibenzothiophen-4-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159749366
12-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-thia-13,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(24),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 156515291
13-(3-dibenzofuran-4-ylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71229701

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene?
The IUPAC name of 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene (CID 156515027) is 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene.
What is the SMILES notation for 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene?
The canonical SMILES for 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene is c1ccc2cc3c(cc2c1)sc1c3cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cc2)n2c3ccccc3nc12.
What is the InChIKey of 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene?
The InChIKey is HYSLGIHQCRFYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2OS/c1-2-11-38-31-52-46(30-37(38)10-1)47-32-50(57-49-18-7-6-17-48(49)56-55(57)54(47)59-52)36-26-24-34(25-27-36)40-29-28-39(42-12-3-4-13-43(40)42)33-20-22-35(23-21-33)41-15-9-16-45-44-14-5-8-19-51(44)58-53(41)45/h1-32H.
What are the key properties of 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene?
11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 768.94 g/mol, XLogP of 15.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(4-dibenzofuran-4-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 156515027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).