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)

C150H96N12O2 — CID 165106269

IUPACethane;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)
SMILESCC.c1ccc(-c2nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C50H30N4.2C49H30N4O.C2H6/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;2*1-4-14-33(15-5-1)45-51-46(53-48(52-45)49(36-18-8-3-9-19-36)40-22-12-10-20-37(40)38-21-11-13-23-41(38)49)35-27-25-31-24-26-32-28-29-42-44(43(32)39(31)30-35)54-47(50-42)34-16-6-2-7-17-34;1-2/h3*1-30H;1-2H3
InChIKeyZEGFNFVPMXVNNQ-UHFFFAOYSA-N
MW2098.50 g/mol
LogP36.19
Rot. Bonds14

About 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)

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) (PubChem CID 165106269) has the molecular formula C150H96N12O2 and a molecular weight of 2098.50 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nameethane;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)
PubChem CID165106269
Molecular FormulaC150H96N12O2
Molecular Weight2098.50 g/mol
Exact Mass2096.78
IUPAC Nameethane;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)
SMILESCC.c1ccc(-c2nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C50H30N4.2C49H30N4O.C2H6/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;2*1-4-14-33(15-5-1)45-51-46(53-48(52-45)49(36-18-8-3-9-19-36)40-22-12-10-20-37(40)38-21-11-13-23-41(38)49)35-27-25-31-24-26-32-28-29-42-44(43(32)39(31)30-35)54-47(50-42)34-16-6-2-7-17-34;1-2/h3*1-30H;1-2H3
InChIKeyZEGFNFVPMXVNNQ-UHFFFAOYSA-N
XLogP36.19
TPSA173.00 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002098.50
LogP ≤ 536.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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) 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

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
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
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
7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756280
6-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-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 170668131
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
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 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC.c1ccc(-c2nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)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 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)?
The InChIKey is ZEGFNFVPMXVNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.2C49H30N4O.C2H6/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;2*1-4-14-33(15-5-1)45-51-46(53-48(52-45)49(36-18-8-3-9-19-36)40-22-12-10-20-37(40)38-21-11-13-23-41(38)49)35-27-25-31-24-26-32-28-29-42-44(43(32)39(31)30-35)54-47(50-42)34-16-6-2-7-17-34;1-2/h3*1-30H;1-2H3.
What are the key properties of 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)?
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) has a molecular weight of 2098.50 g/mol, XLogP of 36.19, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 165106269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).