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

C44H26N2 — CID 163498538

IUPAC9-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
SMILESc1ccc(-c2ccc3c(-n4c5cccc6c5c5c7c(ccc8c7c7c-6cccc7n8-c6ccccc6)ccc54)cccc3c2)cc1
InChIInChI=1S/C44H26N2/c1-3-10-27(11-4-1)29-20-23-32-30(26-29)12-7-17-35(32)46-37-19-9-16-34-33-15-8-18-36-41(33)43-38(45(36)31-13-5-2-6-14-31)24-21-28-22-25-39(46)44(40(28)43)42(34)37/h1-26H
InChIKeyCSTSMGMXIYQAGS-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.83
Rot. Bonds3

About 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

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 (PubChem CID 163498538) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID163498538
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name9-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
SMILESc1ccc(-c2ccc3c(-n4c5cccc6c5c5c7c(ccc8c7c7c-6cccc7n8-c6ccccc6)ccc54)cccc3c2)cc1
InChIInChI=1S/C44H26N2/c1-3-10-27(11-4-1)29-20-23-32-30(26-29)12-7-17-35(32)46-37-19-9-16-34-33-15-8-18-36-41(33)43-38(45(36)31-13-5-2-6-14-31)24-21-28-22-25-39(46)44(40(28)43)42(34)37/h1-26H
InChIKeyCSTSMGMXIYQAGS-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-(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 with MolForge

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Related Compounds

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
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
9-naphthalen-1-yl-14-(6-phenylnaphthalen-1-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 142551551
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
9-phenyl-14-[6-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]naphthalen-1-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 155241271
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 134168683
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(-n4c5cccc6c5c5c7c(ccc8c7c7c-6cccc7n8-c6ccccc6)ccc54)cccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is CSTSMGMXIYQAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-3-10-27(11-4-1)29-20-23-32-30(26-29)12-7-17-35(32)46-37-19-9-16-34-33-15-8-18-36-41(33)43-38(45(36)31-13-5-2-6-14-31)24-21-28-22-25-39(46)44(40(28)43)42(34)37/h1-26H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 163498538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).