30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene

C138H80N12 — CID 161131929

IUPAC30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
SMILESc1ccc(-c2nc(-c3cccc(-n4c5cccc6c7cccc8c9c%10ccccc%10ccc9n(c9cccc4c9c65)c78)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cccc5c6cccc7c8c9ccccc9ccc8n(c8cccc3c8c54)c67)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6c7c8ccccc8ccc7n(c7cccc2c7c43)c56)cc1
InChIInChI=1S/2C48H28N4.C42H24N4/c1-2-13-30(14-3-1)46-36-18-6-7-22-38(36)49-48(50-46)31-15-8-16-32(28-31)51-39-23-10-19-34-35-20-9-21-37-43-33-17-5-4-12-29(33)26-27-42(43)52(47(35)37)41-25-11-24-40(51)45(41)44(34)39;1-2-12-30(13-3-1)46-47(50-38-19-7-6-18-37(38)49-46)31-23-26-32(27-24-31)51-39-20-9-15-34-35-16-8-17-36-43-33-14-5-4-11-29(33)25-28-42(43)52(48(35)36)41-22-10-21-40(51)45(41)44(34)39;1-2-12-26(13-3-1)40-42(44-32-19-7-6-18-31(32)43-40)46-33-20-9-15-28-29-16-8-17-30-37-27-14-5-4-11-25(27)23-24-36(37)45(41(29)30)34-21-10-22-35(46)39(34)38(28)33/h2*1-28H;1-24H
InChIKeyUMHNODBDGIHNGA-UHFFFAOYSA-N
MW1906.24 g/mol
LogP35.43
Rot. Bonds8

About 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene

30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene (PubChem CID 161131929) has the molecular formula C138H80N12 and a molecular weight of 1906.24 g/mol. Its IUPAC name is 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene.

Molecular Properties

Compound Name30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
PubChem CID161131929
Molecular FormulaC138H80N12
Molecular Weight1906.24 g/mol
Exact Mass1904.66
IUPAC Name30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
SMILESc1ccc(-c2nc(-c3cccc(-n4c5cccc6c7cccc8c9c%10ccccc%10ccc9n(c9cccc4c9c65)c78)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cccc5c6cccc7c8c9ccccc9ccc8n(c8cccc3c8c54)c67)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6c7c8ccccc8ccc7n(c7cccc2c7c43)c56)cc1
InChIInChI=1S/2C48H28N4.C42H24N4/c1-2-13-30(14-3-1)46-36-18-6-7-22-38(36)49-48(50-46)31-15-8-16-32(28-31)51-39-23-10-19-34-35-20-9-21-37-43-33-17-5-4-12-29(33)26-27-42(43)52(47(35)37)41-25-11-24-40(51)45(41)44(34)39;1-2-12-30(13-3-1)46-47(50-38-19-7-6-18-37(38)49-46)31-23-26-32(27-24-31)51-39-20-9-15-34-35-16-8-17-36-43-33-14-5-4-11-29(33)25-28-42(43)52(48(35)36)41-22-10-21-40(51)45(41)44(34)39;1-2-12-26(13-3-1)40-42(44-32-19-7-6-18-31(32)43-40)46-33-20-9-15-28-29-16-8-17-30-37-27-14-5-4-11-25(27)23-24-36(37)45(41(29)30)34-21-10-22-35(46)39(34)38(28)33/h2*1-28H;1-24H
InChIKeyUMHNODBDGIHNGA-UHFFFAOYSA-N
XLogP35.43
TPSA105.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001906.24
LogP ≤ 535.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene 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

Frequently Asked Questions

What is the IUPAC name of 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?
The IUPAC name of 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene (CID 161131929) is 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene.
What is the SMILES notation for 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?
The canonical SMILES for 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene is c1ccc(-c2nc(-c3cccc(-n4c5cccc6c7cccc8c9c%10ccccc%10ccc9n(c9cccc4c9c65)c78)c3)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cccc5c6cccc7c8c9ccccc9ccc8n(c8cccc3c8c54)c67)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6c7c8ccccc8ccc7n(c7cccc2c7c43)c56)cc1.
What is the InChIKey of 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?
The InChIKey is UMHNODBDGIHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28N4.C42H24N4/c1-2-13-30(14-3-1)46-36-18-6-7-22-38(36)49-48(50-46)31-15-8-16-32(28-31)51-39-23-10-19-34-35-20-9-21-37-43-33-17-5-4-12-29(33)26-27-42(43)52(47(35)37)41-25-11-24-40(51)45(41)44(34)39;1-2-12-30(13-3-1)46-47(50-38-19-7-6-18-37(38)49-46)31-23-26-32(27-24-31)51-39-20-9-15-34-35-16-8-17-36-43-33-14-5-4-11-29(33)25-28-42(43)52(48(35)36)41-22-10-21-40(51)45(41)44(34)39;1-2-12-26(13-3-1)40-42(44-32-19-7-6-18-31(32)43-40)46-33-20-9-15-28-29-16-8-17-30-37-27-14-5-4-11-25(27)23-24-36(37)45(41(29)30)34-21-10-22-35(46)39(34)38(28)33/h2*1-28H;1-24H.
What are the key properties of 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?
30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene has a molecular weight of 1906.24 g/mol, XLogP of 35.43, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 30-[3-(4-phenylquinazolin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene;30-(3-phenylquinoxalin-2-yl)-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene;30-[4-(3-phenylquinoxalin-2-yl)phenyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene is sourced from PubChem (CID 161131929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).