10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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

C98H70N10O — CID 157346723

IUPAC10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1cccc(-c2ccccn2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1cccc(-c2cccnc2)n1
InChIInChI=1S/C38H26N2O.2C30H22N4/c1-38(2)31-13-5-3-9-26(31)29-22-34-30(21-32(29)38)36-33(14-8-20-39-36)40(34)24-18-16-23(17-19-24)25-11-7-12-28-27-10-4-6-15-35(27)41-37(25)28;1-30(2)23-10-4-3-9-20(23)21-17-27-22(16-24(21)30)29-26(12-7-15-32-29)34(27)28-13-5-11-25(33-28)19-8-6-14-31-18-19;1-30(2)22-10-4-3-9-19(22)20-18-27-21(17-23(20)30)29-26(13-8-16-32-29)34(27)28-14-7-12-25(33-28)24-11-5-6-15-31-24/h3-22H,1-2H3;2*3-18H,1-2H3
InChIKeyBHBCOAFEPUDVNN-UHFFFAOYSA-N
MW1403.71 g/mol
LogP23.94
Rot. Bonds6

About 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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

10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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 (PubChem CID 157346723) has the molecular formula C98H70N10O and a molecular weight of 1403.71 g/mol. Its IUPAC name is 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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.

Molecular Properties

Compound Name10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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
PubChem CID157346723
Molecular FormulaC98H70N10O
Molecular Weight1403.71 g/mol
Exact Mass1402.57
IUPAC Name10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1cccc(-c2ccccn2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1cccc(-c2cccnc2)n1
InChIInChI=1S/C38H26N2O.2C30H22N4/c1-38(2)31-13-5-3-9-26(31)29-22-34-30(21-32(29)38)36-33(14-8-20-39-36)40(34)24-18-16-23(17-19-24)25-11-7-12-28-27-10-4-6-15-35(27)41-37(25)28;1-30(2)23-10-4-3-9-20(23)21-17-27-22(16-24(21)30)29-26(12-7-15-32-29)34(27)28-13-5-11-25(33-28)19-8-6-14-31-18-19;1-30(2)22-10-4-3-9-19(22)20-18-27-21(17-23(20)30)29-26(13-8-16-32-29)34(27)28-14-7-12-25(33-28)24-11-5-6-15-31-24/h3-22H,1-2H3;2*3-18H,1-2H3
InChIKeyBHBCOAFEPUDVNN-UHFFFAOYSA-N
XLogP23.94
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001403.71
LogP ≤ 523.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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 with MolForge

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Related Compounds

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CID 71037140
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014
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
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
11-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-[1]benzothiolo[3,2-b]carbazole;9-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)carbazole;5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole;11-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole
CID 158315397
9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 158783189
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
9-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]pyrido[2,3-b]indole
CID 156578056

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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?
The IUPAC name of 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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 157346723) is 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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.
What is the SMILES notation for 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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?
The canonical SMILES for 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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 is CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1cccc(-c2ccccn2)n1.CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1cccc(-c2cccnc2)n1.
What is the InChIKey of 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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?
The InChIKey is BHBCOAFEPUDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O.2C30H22N4/c1-38(2)31-13-5-3-9-26(31)29-22-34-30(21-32(29)38)36-33(14-8-20-39-36)40(34)24-18-16-23(17-19-24)25-11-7-12-28-27-10-4-6-15-35(27)41-37(25)28;1-30(2)23-10-4-3-9-20(23)21-17-27-22(16-24(21)30)29-26(12-7-15-32-29)34(27)28-13-5-11-25(33-28)19-8-6-14-31-18-19;1-30(2)22-10-4-3-9-19(22)20-18-27-21(17-23(20)30)29-26(13-8-16-32-29)34(27)28-14-7-12-25(33-28)24-11-5-6-15-31-24/h3-22H,1-2H3;2*3-18H,1-2H3.
What are the key properties of 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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?
10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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 has a molecular weight of 1403.71 g/mol, XLogP of 23.94, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-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;20,20-dimethyl-10-(6-pyridin-2-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;20,20-dimethyl-10-(6-pyridin-3-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 is sourced from PubChem (CID 157346723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).