10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

C48H30N2S — CID 71037093

IUPAC10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H30N2S/c1-3-13-32(14-4-1)48(33-15-5-2-6-16-33)41-21-9-7-17-36(41)39-30-44-40(29-42(39)48)46-43(22-12-28-49-46)50(44)34-26-24-31(25-27-34)35-19-11-20-38-37-18-8-10-23-45(37)51-47(35)38/h1-30H
InChIKeyOSBDWQPUVNYJAR-UHFFFAOYSA-N
MW666.85 g/mol
LogP12.58
Rot. Bonds4

About 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (PubChem CID 71037093) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
PubChem CID71037093
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H30N2S/c1-3-13-32(14-4-1)48(33-15-5-2-6-16-33)41-21-9-7-17-36(41)39-30-44-40(29-42(39)48)46-43(22-12-28-49-46)50(44)34-26-24-31(25-27-34)35-19-11-20-38-37-18-8-10-23-45(37)51-47(35)38/h1-30H
InChIKeyOSBDWQPUVNYJAR-UHFFFAOYSA-N
XLogP12.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
10-naphthalen-2-yl-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037072
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
N,N-bis(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 159835426
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 159904244
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol
CID 71037075
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole
CID 135176895

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (CID 71037093) is 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The InChIKey is OSBDWQPUVNYJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-3-13-32(14-4-1)48(33-15-5-2-6-16-33)41-21-9-7-17-36(41)39-30-44-40(29-42(39)48)46-43(22-12-28-49-46)50(44)34-26-24-31(25-27-34)35-19-11-20-38-37-18-8-10-23-45(37)51-47(35)38/h1-30H.
What are the key properties of 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene has a molecular weight of 666.85 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 71037093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).