15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene

C57H33N3 — CID 162770205

IUPAC15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6cccc7c6c5c5c6c(ccc8cccc-7c86)ccc54)cc32)cc1
InChIInChI=1S/C57H33N3/c1-3-15-38(16-4-1)57(39-17-5-2-6-18-39)44-22-8-7-19-40(44)41-30-27-37(33-45(41)57)55-56(59-47-24-10-9-23-46(47)58-55)60-48-31-28-35-14-12-21-43-42-20-11-13-34-25-26-36-29-32-49(60)54(52(36)50(34)42)53(48)51(35)43/h1-33H
InChIKeyIEEBWYHPMWJBAI-UHFFFAOYSA-N
MW759.91 g/mol
LogP14.20
Rot. Bonds4

About 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene

15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene (PubChem CID 162770205) has the molecular formula C57H33N3 and a molecular weight of 759.91 g/mol. Its IUPAC name is 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene.

Molecular Properties

Compound Name15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
PubChem CID162770205
Molecular FormulaC57H33N3
Molecular Weight759.91 g/mol
Exact Mass759.27
IUPAC Name15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6cccc7c6c5c5c6c(ccc8cccc-7c86)ccc54)cc32)cc1
InChIInChI=1S/C57H33N3/c1-3-15-38(16-4-1)57(39-17-5-2-6-18-39)44-22-8-7-19-40(44)41-30-27-37(33-45(41)57)55-56(59-47-24-10-9-23-46(47)58-55)60-48-31-28-35-14-12-21-43-42-20-11-13-34-25-26-36-29-32-49(60)54(52(36)50(34)42)53(48)51(35)43/h1-33H
InChIKeyIEEBWYHPMWJBAI-UHFFFAOYSA-N
XLogP14.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.91
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene 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

6-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 170668247
22-phenyl-18-(3-phenylquinoxalin-2-yl)-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19(24),20,22-dodecaene
CID 162770291
15-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770065
12-[2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylindeno[1,2-b]pyrazin-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 146392064
23-(3-naphthalen-2-ylquinoxalin-2-yl)-3-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2,4,6,8(13),9,11,14,16,18(22),19-undecaene
CID 164840602
14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14,14-triphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5,14,14-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163611403
14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14,14-triphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 161339156
4,9-bis(9,9-diphenylfluoren-2-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123195279
3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325916
23-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-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 157051523
17-phenyl-23-[3-(3-phenylphenyl)quinoxalin-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
CID 139497871
9-naphthalen-1-yl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149761

Frequently Asked Questions

What is the IUPAC name of 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
The IUPAC name of 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene (CID 162770205) is 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene.
What is the SMILES notation for 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
The canonical SMILES for 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6cccc7c6c5c5c6c(ccc8cccc-7c86)ccc54)cc32)cc1.
What is the InChIKey of 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
The InChIKey is IEEBWYHPMWJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3/c1-3-15-38(16-4-1)57(39-17-5-2-6-18-39)44-22-8-7-19-40(44)41-30-27-37(33-45(41)57)55-56(59-47-24-10-9-23-46(47)58-55)60-48-31-28-35-14-12-21-43-42-20-11-13-34-25-26-36-29-32-49(60)54(52(36)50(34)42)53(48)51(35)43/h1-33H.
What are the key properties of 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene?
15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene has a molecular weight of 759.91 g/mol, XLogP of 14.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(9,9-diphenylfluoren-2-yl)quinoxalin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene is sourced from PubChem (CID 162770205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).