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

C148H96N12 — CID 165012109

IUPACethane;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
SMILESCC.c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/2C50H30N4.C46H30N4.C2H6/c2*1-3-15-32(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;1-4-17-31(18-5-1)43-47-44(37-26-16-30-41-42(37)36-25-12-15-29-40(36)50(41)33-21-8-3-9-22-33)49-45(48-43)46(32-19-6-2-7-20-32)38-27-13-10-23-34(38)35-24-11-14-28-39(35)46;1-2/h2*1-30H;1-30H;1-2H3
InChIKeyJVZKNRWUOPCRFG-UHFFFAOYSA-N
MW2042.48 g/mol
LogP35.29
Rot. Bonds13

About 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

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 (PubChem CID 165012109) has the molecular formula C148H96N12 and a molecular weight of 2042.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID165012109
Molecular FormulaC148H96N12
Molecular Weight2042.48 g/mol
Exact Mass2040.79
IUPAC Nameethane;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
SMILESCC.c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/2C50H30N4.C46H30N4.C2H6/c2*1-3-15-32(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;1-4-17-31(18-5-1)43-47-44(37-26-16-30-41-42(37)36-25-12-15-29-40(36)50(41)33-21-8-3-9-22-33)49-45(48-43)46(32-19-6-2-7-20-32)38-27-13-10-23-34(38)35-24-11-14-28-39(35)46;1-2/h2*1-30H;1-30H;1-2H3
InChIKeyJVZKNRWUOPCRFG-UHFFFAOYSA-N
XLogP35.29
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.48
LogP ≤ 535.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 159443328
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
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
2-tert-butyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-tert-butyl-4-(9-phenylfluoren-9-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-tert-butyl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-tert-butyl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;4-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159459081
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 146321372
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 162487538
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
5-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621946

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.c1ccc(-c2nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3ccccc3-5)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;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?
The InChIKey is JVZKNRWUOPCRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30N4.C46H30N4.C2H6/c2*1-3-15-32(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;1-4-17-31(18-5-1)43-47-44(37-26-16-30-41-42(37)36-25-12-15-29-40(36)50(41)33-21-8-3-9-22-33)49-45(48-43)46(32-19-6-2-7-20-32)38-27-13-10-23-34(38)35-24-11-14-28-39(35)46;1-2/h2*1-30H;1-30H;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2042.48 g/mol, XLogP of 35.29, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165012109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).