9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

C44H26N2 — CID 163594520

IUPAC9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESc1ccc(-c2ccc3ccc(-n4c5cccc6c5c5c7c(ccc8c7c7c-6cccc7n8-c6ccccc6)ccc54)cc3c2)cc1
InChIInChI=1S/C44H26N2/c1-3-9-27(10-4-1)30-18-17-28-19-22-33(26-31(28)25-30)46-37-16-8-14-35-34-13-7-15-36-41(34)43-38(45(36)32-11-5-2-6-12-32)23-20-29-21-24-39(46)44(40(29)43)42(35)37/h1-26H
InChIKeyGSGVXYOSIJBUBU-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.83
Rot. Bonds3

About 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (PubChem CID 163594520) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.

Molecular Properties

Compound Name9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
PubChem CID163594520
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESc1ccc(-c2ccc3ccc(-n4c5cccc6c5c5c7c(ccc8c7c7c-6cccc7n8-c6ccccc6)ccc54)cc3c2)cc1
InChIInChI=1S/C44H26N2/c1-3-9-27(10-4-1)30-18-17-28-19-22-33(26-31(28)25-30)46-37-16-8-14-35-34-13-7-15-36-41(34)43-38(45(36)32-11-5-2-6-12-32)23-20-29-21-24-39(46)44(40(29)43)42(35)37/h1-26H
InChIKeyGSGVXYOSIJBUBU-UHFFFAOYSA-N
XLogP11.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene with MolForge

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Related Compounds

9-phenyl-17-(6-phenylnaphthalen-1-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163498538
9-(6-phenylnaphthalen-2-yl)-14-(3-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 138747293
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
CID 162770195
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799
9-(3,5-diphenylphenyl)-14-naphthalen-2-yl-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-(4-naphthalen-1-ylphenyl)-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;9-(4-naphthalen-2-ylphenyl)-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;9-naphthalen-2-yl-14-[3-(3-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 160704314
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
11-(7-pyridin-4-ylphenanthren-2-yl)-11-azapentacyclo[8.7.0.02,7.03,16.012,17]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
CID 166007889
4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 159875577
4,9,14-trinaphthalen-2-yl-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 170928009
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
3-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072788
3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;10-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7-(6-fluoranthen-2-ylnaphthalen-2-yl)-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 158425767

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The IUPAC name of 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (CID 163594520) is 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.
What is the SMILES notation for 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The canonical SMILES for 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is c1ccc(-c2ccc3ccc(-n4c5cccc6c5c5c7c(ccc8c7c7c-6cccc7n8-c6ccccc6)ccc54)cc3c2)cc1.
What is the InChIKey of 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The InChIKey is GSGVXYOSIJBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-3-9-27(10-4-1)30-18-17-28-19-22-33(26-31(28)25-30)46-37-16-8-14-35-34-13-7-15-36-41(34)43-38(45(36)32-11-5-2-6-12-32)23-20-29-21-24-39(46)44(40(29)43)42(35)37/h1-26H.
What are the key properties of 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene has a molecular weight of 582.71 g/mol, XLogP of 11.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 163594520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).