3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene

C40H24N4 — CID 118479997

IUPAC3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene
SMILESc1ccc(-n2c3cc4ccccc4cc3c3ccc4c5cc6ccccc6cc5n(-c5ccc6ncccc6n5)c4c32)cc1
InChIInChI=1S/C40H24N4/c1-2-13-29(14-3-1)43-36-23-27-11-6-4-9-25(27)21-32(36)30-16-17-31-33-22-26-10-5-7-12-28(26)24-37(33)44(40(31)39(30)43)38-19-18-34-35(42-38)15-8-20-41-34/h1-24H
InChIKeyQCICORMWIAQPCK-UHFFFAOYSA-N
MW560.66 g/mol
LogP10.13
Rot. Bonds2

About 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene

3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene (PubChem CID 118479997) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene.

Molecular Properties

Compound Name3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene
PubChem CID118479997
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene
SMILESc1ccc(-n2c3cc4ccccc4cc3c3ccc4c5cc6ccccc6cc5n(-c5ccc6ncccc6n5)c4c32)cc1
InChIInChI=1S/C40H24N4/c1-2-13-29(14-3-1)43-36-23-27-11-6-4-9-25(27)21-32(36)30-16-17-31-33-22-26-10-5-7-12-28(26)24-37(33)44(40(31)39(30)43)38-19-18-34-35(42-38)15-8-20-41-34/h1-24H
InChIKeyQCICORMWIAQPCK-UHFFFAOYSA-N
XLogP10.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene with MolForge

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Related Compounds

24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,17,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122523979
24-phenyl-3-quinolin-6-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465105
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
15-phenyl-12-quinoxalin-6-yl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 154952669
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122523984
12-phenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-phenyl-12-[5-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-[4-(3-phenylquinoxalin-2-yl)phenyl]-16-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 158104834
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 122465314
5-(4,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-3-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326073
14-phenyl-3-pyridin-3-yl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122465006

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene?
The IUPAC name of 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene (CID 118479997) is 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene.
What is the SMILES notation for 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene?
The canonical SMILES for 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene is c1ccc(-n2c3cc4ccccc4cc3c3ccc4c5cc6ccccc6cc5n(-c5ccc6ncccc6n5)c4c32)cc1.
What is the InChIKey of 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene?
The InChIKey is QCICORMWIAQPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c1-2-13-29(14-3-1)43-36-23-27-11-6-4-9-25(27)21-32(36)30-16-17-31-33-22-26-10-5-7-12-28(26)24-37(33)44(40(31)39(30)43)38-19-18-34-35(42-38)15-8-20-41-34/h1-24H.
What are the key properties of 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene?
3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene has a molecular weight of 560.66 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-naphthyridin-2-yl)-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24,26-tridecaene is sourced from PubChem (CID 118479997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).