10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene

C51H29N5 — CID 147518121

IUPAC10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene
SMILESc1ccc(-c2nc3cccnc3nc2-c2ccc(-n3c4ccccc4c4c3c3ccccc3c3c5cccc6c7cc8ccccc8cc7n(c65)c34)cc2)cc1
InChIInChI=1S/C51H29N5/c1-2-12-30(13-3-1)46-47(54-51-41(53-46)21-11-27-52-51)31-23-25-34(26-24-31)55-42-22-9-8-18-38(42)45-49(55)36-17-7-6-16-35(36)44-39-20-10-19-37-40-28-32-14-4-5-15-33(32)29-43(40)56(48(37)39)50(44)45/h1-29H
InChIKeyFKPWSFVRRXOBKE-UHFFFAOYSA-N
MW711.83 g/mol
LogP12.91
Rot. Bonds3

About 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene

10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene (PubChem CID 147518121) has the molecular formula C51H29N5 and a molecular weight of 711.83 g/mol. Its IUPAC name is 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene.

Molecular Properties

Compound Name10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene
PubChem CID147518121
Molecular FormulaC51H29N5
Molecular Weight711.83 g/mol
Exact Mass711.24
IUPAC Name10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene
SMILESc1ccc(-c2nc3cccnc3nc2-c2ccc(-n3c4ccccc4c4c3c3ccccc3c3c5cccc6c7cc8ccccc8cc7n(c65)c34)cc2)cc1
InChIInChI=1S/C51H29N5/c1-2-12-30(13-3-1)46-47(54-51-41(53-46)21-11-27-52-51)31-23-25-34(26-24-31)55-42-22-9-8-18-38(42)45-49(55)36-17-7-6-16-35(36)44-39-20-10-19-37-40-28-32-14-4-5-15-33(32)29-43(40)56(48(37)39)50(44)45/h1-29H
InChIKeyFKPWSFVRRXOBKE-UHFFFAOYSA-N
XLogP12.91
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene
CID 147376419
9-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaene
CID 130259806
10-(4-naphthalen-2-ylquinazolin-2-yl)-1,10-diazaoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tetradecaene
CID 163570892
7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline
CID 152908306
11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
19-[7-[3-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1,4,6,8,10,12,14,16(30),17(22),18,20,24,26,28-tetradecaene
CID 130266507
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenyl-3,12-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 156551219
3-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258443
21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
CID 130259337
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
17-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 130259301
14-phenyl-14,23-diazanonacyclo[21.10.1.02,22.03,15.04,13.06,11.016,21.024,29.030,34]tetratriaconta-1(33),2(22),3(15),4,6,8,10,12,16,18,20,24,26,28,30(34),31-hexadecaene
CID 163608831

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?
The IUPAC name of 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene (CID 147518121) is 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene.
What is the SMILES notation for 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?
The canonical SMILES for 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene is c1ccc(-c2nc3cccnc3nc2-c2ccc(-n3c4ccccc4c4c3c3ccccc3c3c5cccc6c7cc8ccccc8cc7n(c65)c34)cc2)cc1.
What is the InChIKey of 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?
The InChIKey is FKPWSFVRRXOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5/c1-2-12-30(13-3-1)46-47(54-51-41(53-46)21-11-27-52-51)31-23-25-34(26-24-31)55-42-22-9-8-18-38(42)45-49(55)36-17-7-6-16-35(36)44-39-20-10-19-37-40-28-32-14-4-5-15-33(32)29-43(40)56(48(37)39)50(44)45/h1-29H.
What are the key properties of 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?
10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene has a molecular weight of 711.83 g/mol, XLogP of 12.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2-phenylpyrido[2,3-b]pyrazin-3-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene is sourced from PubChem (CID 147518121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).