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

C43H24N2OS — CID 156514867

IUPAC15-(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
SMILESc1ccc2cc3c(cc2c1)nc1c2sc4cc5ccccc5cc4c2cc(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)n31
InChIInChI=1S/C43H24N2OS/c1-4-11-30-23-40-34(20-27(30)8-1)35-24-37(45-38-22-29-10-3-2-9-28(29)21-36(38)44-43(45)42(35)47-40)26-18-16-25(17-19-26)31-13-7-14-33-32-12-5-6-15-39(32)46-41(31)33/h1-24H
InChIKeyHFDPXECCQNEVDQ-UHFFFAOYSA-N
MW616.75 g/mol
LogP12.40
Rot. Bonds2

About 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

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 (PubChem CID 156514867) has the molecular formula C43H24N2OS and a molecular weight of 616.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-(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
PubChem CID156514867
Molecular FormulaC43H24N2OS
Molecular Weight616.75 g/mol
Exact Mass616.16
IUPAC Name15-(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
SMILESc1ccc2cc3c(cc2c1)nc1c2sc4cc5ccccc5cc4c2cc(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)n31
InChIInChI=1S/C43H24N2OS/c1-4-11-30-23-40-34(20-27(30)8-1)35-24-37(45-38-22-29-10-3-2-9-28(29)21-36(38)44-43(45)42(35)47-40)26-18-16-25(17-19-26)31-13-7-14-33-32-12-5-6-15-39(32)46-41(31)33/h1-24H
InChIKeyHFDPXECCQNEVDQ-UHFFFAOYSA-N
XLogP12.40
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.75
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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-benzo[h]quinolin-6-ylphenyl)-12-thia-2,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.018,27.020,25]octacosa-1(28),3,5(13),6,8,10,14,16,18,20,22,24,26-tridecaene
CID 156514824
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
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
16-(4-benzo[h]quinolin-6-ylphenyl)-25-[5-[4-(9,9-diphenylfluoren-4-yl)phenyl]-8-[4-(3-thia-17,32-diazaoctacyclo[15.15.0.02,14.04,13.06,11.018,31.020,29.022,27]dotriaconta-1(32),2(14),4,6,8,10,12,15,18,20,22,24,26,28,30-pentadecaen-16-yl)phenyl]naphthalen-2-yl]-3-thia-17,32-diazaoctacyclo[15.15.0.02,14.04,13.06,11.018,31.020,29.022,27]dotriaconta-1(32),2(14),4,6,8,10,12,15,18(31),19,21,23,25,27,29-pentadecaene
CID 156514707
16-[4-(4-triphenylen-2-ylphenyl)phenyl]-3-thia-17,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaene
CID 156514732
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
N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 165019538
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine
CID 171737207

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc3c(cc2c1)nc1c2sc4cc5ccccc5cc4c2cc(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)n31.
What is the InChIKey of 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?
The InChIKey is HFDPXECCQNEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2OS/c1-4-11-30-23-40-34(20-27(30)8-1)35-24-37(45-38-22-29-10-3-2-9-28(29)21-36(38)44-43(45)42(35)47-40)26-18-16-25(17-19-26)31-13-7-14-33-32-12-5-6-15-39(32)46-41(31)33/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 616.75 g/mol, XLogP of 12.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156514867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).