2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene

C102H70BBrN6O2 — CID 157084692

IUPAC2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene
SMILESBrc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)OB(c2ccc3c4ccc5ccccc5c4c4nc5c6ccccc6ccc5n4c3c2)OC1(C)C.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7c8ccccc8ccc7n6c5c4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3.C33H27BN2O2.C21H14BrN/c1-2-10-31(11-3-1)41-29-43(49-42-17-9-8-16-38(41)42)34-20-18-30(19-21-34)35-23-25-39-40-26-22-32-12-4-6-14-36(32)46(40)48-50-47-37-15-7-5-13-33(37)24-27-44(47)51(48)45(39)28-35;1-32(2)33(3,4)38-34(37-32)22-15-17-25-26-16-13-20-9-5-7-11-23(20)29(26)31-35-30-24-12-8-6-10-21(24)14-18-27(30)36(31)28(25)19-22;22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)18-8-4-5-9-20(18)23-21/h1-29H;5-19H,1-4H3;1-14H
InChIKeyADYNDBYLLUSALB-UHFFFAOYSA-N
MW1502.44 g/mol
LogP26.38
Rot. Bonds6

About 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene

2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene (PubChem CID 157084692) has the molecular formula C102H70BBrN6O2 and a molecular weight of 1502.44 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene
PubChem CID157084692
Molecular FormulaC102H70BBrN6O2
Molecular Weight1502.44 g/mol
Exact Mass1500.48
IUPAC Name2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene
SMILESBrc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)OB(c2ccc3c4ccc5ccccc5c4c4nc5c6ccccc6ccc5n4c3c2)OC1(C)C.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7c8ccccc8ccc7n6c5c4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C48H29N3.C33H27BN2O2.C21H14BrN/c1-2-10-31(11-3-1)41-29-43(49-42-17-9-8-16-38(41)42)34-20-18-30(19-21-34)35-23-25-39-40-26-22-32-12-4-6-14-36(32)46(40)48-50-47-37-15-7-5-13-33(37)24-27-44(47)51(48)45(39)28-35;1-32(2)33(3,4)38-34(37-32)22-15-17-25-26-16-13-20-9-5-7-11-23(20)29(26)31-35-30-24-12-8-6-10-21(24)14-18-27(30)36(31)28(25)19-22;22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)18-8-4-5-9-20(18)23-21/h1-29H;5-19H,1-4H3;1-14H
InChIKeyADYNDBYLLUSALB-UHFFFAOYSA-N
XLogP26.38
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001502.44
LogP ≤ 526.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-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

11-(7-Dimethylphosphorylnaphthalen-2-yl)-17-[4-(trifluoromethyl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;10-dimethylphosphoryl-11-[4-(trifluoromethyl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;10-dimethylphosphoryl-17-[4-(trifluoromethyl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 160686725
12-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 164758316
12-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 164758354
3,14,25,36-Tetrazanonacyclo[19.15.0.02,18.03,15.04,13.07,12.024,36.026,35.027,32]hexatriaconta-1(21),2(18),4(13),5,7,9,11,14,16,19,22,24,26(35),27,29,31,33-heptadecaene
CID 134958575
24,25-Dimethyl-13,15-diazahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,16,18,20,22,24-dodecaene
CID 139183295
5-Naphthalen-2-yl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 58037552
4,11-Bis(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 58037556
4-[4-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037565
5-Phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 58037583
5-[3-Carbazol-9-yl-5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037588
27-[4-(1-Phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18,20,22,24(29),25,27-tetradecaene
CID 58037623
27-(1,16-Diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18,20,22,24(29),25,27-tetradecaen-27-yl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18,20,22,24(29),25,27-tetradecaene
CID 58037664

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene?
The IUPAC name of 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene (CID 157084692) is 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene?
The canonical SMILES for 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene is Brc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1.CC1(C)OB(c2ccc3c4ccc5ccccc5c4c4nc5c6ccccc6ccc5n4c3c2)OC1(C)C.c1ccc(-c2cc(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7c8ccccc8ccc7n6c5c4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene?
The InChIKey is ADYNDBYLLUSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3.C33H27BN2O2.C21H14BrN/c1-2-10-31(11-3-1)41-29-43(49-42-17-9-8-16-38(41)42)34-20-18-30(19-21-34)35-23-25-39-40-26-22-32-12-4-6-14-36(32)46(40)48-50-47-37-15-7-5-13-33(37)24-27-44(47)51(48)45(39)28-35;1-32(2)33(3,4)38-34(37-32)22-15-17-25-26-16-13-20-9-5-7-11-23(20)29(26)31-35-30-24-12-8-6-10-21(24)14-18-27(30)36(31)28(25)19-22;22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)18-8-4-5-9-20(18)23-21/h1-29H;5-19H,1-4H3;1-14H.
What are the key properties of 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene?
2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene has a molecular weight of 1502.44 g/mol, XLogP of 26.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenylquinoline;15-[4-(4-phenylquinolin-2-yl)phenyl]-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene;15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18,29-diazaheptacyclo[16.11.0.02,11.03,8.012,17.019,28.022,27]nonacosa-1(29),2(11),3,5,7,9,12(17),13,15,19(28),20,22,24,26-tetradecaene is sourced from PubChem (CID 157084692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).