9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C46H30N2O — CID 167030376

IUPAC9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESC1=Cc2cc3oc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7ccc65)ccc4c3cc2CC1
InChIInChI=1S/C46H30N2O/c1-2-10-29(11-3-1)30-18-20-33(21-19-30)47-39-16-8-6-14-36(39)45-41(47)24-25-42-46(45)37-15-7-9-17-40(37)48(42)34-22-23-35-38-26-31-12-4-5-13-32(31)27-43(38)49-44(35)28-34/h1-3,5-11,13-28H,4,12H2
InChIKeyVHAAUKGBRSLADJ-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.41
Rot. Bonds3

About 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 167030376) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID167030376
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESC1=Cc2cc3oc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7ccc65)ccc4c3cc2CC1
InChIInChI=1S/C46H30N2O/c1-2-10-29(11-3-1)30-18-20-33(21-19-30)47-39-16-8-6-14-36(39)45-41(47)24-25-42-46(45)37-15-7-9-17-40(37)48(42)34-22-23-35-38-26-31-12-4-5-13-32(31)27-43(38)49-44(35)28-34/h1-3,5-11,13-28H,4,12H2
InChIKeyVHAAUKGBRSLADJ-UHFFFAOYSA-N
XLogP12.41
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

5-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 167029493
9-dibenzofuran-3-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzofuran-3-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165079069
9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285118
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
CID 129142369
14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167192768
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014536
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
CID 167029821
3-[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-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102

Frequently Asked Questions

What is the IUPAC name of 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 167030376) is 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is C1=Cc2cc3oc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccccc9)cc8)c7ccc65)ccc4c3cc2CC1.
What is the InChIKey of 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is VHAAUKGBRSLADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-10-29(11-3-1)30-18-20-33(21-19-30)47-39-16-8-6-14-36(39)45-41(47)24-25-42-46(45)37-15-7-9-17-40(37)48(42)34-22-23-35-38-26-31-12-4-5-13-32(31)27-43(38)49-44(35)28-34/h1-3,5-11,13-28H,4,12H2.
What are the key properties of 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 626.76 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 167030376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).