bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole

C171H118N14O — CID 164947241

IUPACbis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
SMILESCC.CC.c1ccc(-c2nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C50H30N4.C49H30N4O.2C34H23N3.2C2H6/c1-3-15-32(16-4-1)47-51-48(50(33-18-5-2-6-19-33)40-26-11-9-22-36(40)37-23-10-12-27-41(37)50)53-49(52-47)54-42-28-14-25-39-35-21-8-7-20-34(35)38-24-13-17-31-29-30-43(54)46(44(31)38)45(39)42;1-4-14-32(15-5-1)45-51-46(53-48(52-45)49(36-18-8-3-9-19-36)40-22-12-10-20-38(40)39-21-11-13-23-41(39)49)35-26-28-37-34(30-35)25-24-31-27-29-42-44(43(31)37)54-47(50-42)33-16-6-2-7-17-33;2*1-4-14-24(15-5-1)31-35-32(25-16-6-2-7-17-25)37-33(36-31)34(26-18-8-3-9-19-26)29-22-12-10-20-27(29)28-21-11-13-23-30(28)34;2*1-2/h2*1-30H;2*1-23H;2*1-2H3
InChIKeyABAOUDUUHSZGAT-UHFFFAOYSA-N
MW2384.92 g/mol
LogP40.67
Rot. Bonds17

About bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole

bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole (PubChem CID 164947241) has the molecular formula C171H118N14O and a molecular weight of 2384.92 g/mol. Its IUPAC name is bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Namebis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
PubChem CID164947241
Molecular FormulaC171H118N14O
Molecular Weight2384.92 g/mol
Exact Mass2382.96
IUPAC Namebis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
SMILESCC.CC.c1ccc(-c2nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C50H30N4.C49H30N4O.2C34H23N3.2C2H6/c1-3-15-32(16-4-1)47-51-48(50(33-18-5-2-6-19-33)40-26-11-9-22-36(40)37-23-10-12-27-41(37)50)53-49(52-47)54-42-28-14-25-39-35-21-8-7-20-34(35)38-24-13-17-31-29-30-43(54)46(44(31)38)45(39)42;1-4-14-32(15-5-1)45-51-46(53-48(52-45)49(36-18-8-3-9-19-36)40-22-12-10-20-38(40)39-21-11-13-23-41(39)49)35-26-28-37-34(30-35)25-24-31-27-29-42-44(43(31)37)54-47(50-42)33-16-6-2-7-17-33;2*1-4-14-24(15-5-1)31-35-32(25-16-6-2-7-17-25)37-33(36-31)34(26-18-8-3-9-19-26)29-22-12-10-20-27(29)28-21-11-13-23-30(28)34;2*1-2/h2*1-30H;2*1-23H;2*1-2H3
InChIKeyABAOUDUUHSZGAT-UHFFFAOYSA-N
XLogP40.67
TPSA185.64 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002384.92
LogP ≤ 540.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole with MolForge

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Related Compounds

ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;bis(2-phenyl-10-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole)
CID 165106269
23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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 165004269
ethane;bis(23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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);9-phenyl-4-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 165012109
23-[4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazin-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 164821320
7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756280
18-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631370
5-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-oxa-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 163579151
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 139312741
18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole;20-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
CID 158487413
7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole
CID 166583200
2-(9-naphthalen-2-ylfluoren-9-yl)-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine;12-[4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-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;9-phenyl-1-[4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165003425

Frequently Asked Questions

What is the IUPAC name of bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole (CID 164947241) is bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole is CC.CC.c1ccc(-c2nc(-c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is ABAOUDUUHSZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C49H30N4O.2C34H23N3.2C2H6/c1-3-15-32(16-4-1)47-51-48(50(33-18-5-2-6-19-33)40-26-11-9-22-36(40)37-23-10-12-27-41(37)50)53-49(52-47)54-42-28-14-25-39-35-21-8-7-20-34(35)38-24-13-17-31-29-30-43(54)46(44(31)38)45(39)42;1-4-14-32(15-5-1)45-51-46(53-48(52-45)49(36-18-8-3-9-19-36)40-22-12-10-20-38(40)39-21-11-13-23-41(39)49)35-26-28-37-34(30-35)25-24-31-27-29-42-44(43(31)37)54-47(50-42)33-16-6-2-7-17-33;2*1-4-14-24(15-5-1)31-35-32(25-16-6-2-7-17-25)37-33(36-31)34(26-18-8-3-9-19-26)29-22-12-10-20-27(29)28-21-11-13-23-30(28)34;2*1-2/h2*1-30H;2*1-23H;2*1-2H3.
What are the key properties of bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole?
bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 2384.92 g/mol, XLogP of 40.67, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine);ethane;23-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-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;2-phenyl-9-[4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 164947241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).