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

C40H26N2 — CID 71037072

IUPAC10-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H26N2/c1-3-14-29(15-4-1)40(30-16-5-2-6-17-30)35-19-10-9-18-32(35)33-26-38-34(25-36(33)40)39-37(20-11-23-41-39)42(38)31-22-21-27-12-7-8-13-28(27)24-31/h1-26H
InChIKeyIEOSFQIIFGTQMJ-UHFFFAOYSA-N
MW534.66 g/mol
LogP9.69
Rot. Bonds3

About 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

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 (PubChem CID 71037072) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID71037072
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name10-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H26N2/c1-3-14-29(15-4-1)40(30-16-5-2-6-17-30)35-19-10-9-18-32(35)33-26-38-34(25-36(33)40)39-37(20-11-23-41-39)42(38)31-22-21-27-12-7-8-13-28(27)24-31/h1-26H
InChIKeyIEOSFQIIFGTQMJ-UHFFFAOYSA-N
XLogP9.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
[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
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
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
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
CID 134551673
CID 134551673
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole
CID 167550154
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is IEOSFQIIFGTQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-3-14-29(15-4-1)40(30-16-5-2-6-17-30)35-19-10-9-18-32(35)33-26-38-34(25-36(33)40)39-37(20-11-23-41-39)42(38)31-22-21-27-12-7-8-13-28(27)24-31/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 534.66 g/mol, XLogP of 9.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71037072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).