6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene

C48H29NO — CID 129208215

IUPAC6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccc(-c6ccc7oc8ccccc8c7c6)cc53)-c3cccc5cccc-4c35)c2)cc1
InChIInChI=1S/C48H29NO/c1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)49-43-29-34(33-22-24-45-42(28-33)38-17-7-8-20-44(38)50-45)21-23-39(43)47-40-18-9-15-32-16-10-19-41(46(32)40)48(47)49/h1-29H
InChIKeyNVOOHWBREVFYHT-UHFFFAOYSA-N
MW635.77 g/mol
LogP13.33
Rot. Bonds4

About 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene

6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene (PubChem CID 129208215) has the molecular formula C48H29NO and a molecular weight of 635.77 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
PubChem CID129208215
Molecular FormulaC48H29NO
Molecular Weight635.77 g/mol
Exact Mass635.22
IUPAC Name6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccc(-c6ccc7oc8ccccc8c7c6)cc53)-c3cccc5cccc-4c35)c2)cc1
InChIInChI=1S/C48H29NO/c1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)49-43-29-34(33-22-24-45-42(28-33)38-17-7-8-20-44(38)50-45)21-23-39(43)47-40-18-9-15-32-16-10-19-41(46(32)40)48(47)49/h1-29H
InChIKeyNVOOHWBREVFYHT-UHFFFAOYSA-N
XLogP13.33
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene with MolForge

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Related Compounds

9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
CID 129207881
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
2-dibenzofuran-1-yl-9-dibenzofuran-2-yl-7-phenylcarbazole
CID 130232982
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
CID 146647922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
9-[3-carbazol-9-yl-5-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole;9-[4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 163688539
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?
The IUPAC name of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene (CID 129208215) is 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene.
What is the SMILES notation for 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?
The canonical SMILES for 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccc(-c6ccc7oc8ccccc8c7c6)cc53)-c3cccc5cccc-4c35)c2)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?
The InChIKey is NVOOHWBREVFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO/c1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)49-43-29-34(33-22-24-45-42(28-33)38-17-7-8-20-44(38)50-45)21-23-39(43)47-40-18-9-15-32-16-10-19-41(46(32)40)48(47)49/h1-29H.
What are the key properties of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?
6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene has a molecular weight of 635.77 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene is sourced from PubChem (CID 129208215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).