3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C81H47N9 — CID 177101754

IUPAC3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1nc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c3c4cccc5c6ccccc6n(c3c2-n2c3ccccc3c3ccccc32)c54)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C81H47N9/c1-12-37-61-48(24-1)49-25-2-13-38-62(49)85(61)75-72-60-36-23-35-59-58-34-11-22-47-71(58)90(74(59)60)76(72)78(87-65-41-16-5-28-52(65)53-29-6-17-42-66(53)87)73(77(75)86-63-39-14-3-26-50(63)51-27-4-15-40-64(51)86)79-82-80(88-67-43-18-7-30-54(67)55-31-8-19-44-68(55)88)84-81(83-79)89-69-45-20-9-32-56(69)57-33-10-21-46-70(57)89/h1-47H
InChIKeyGMNPLHMZJYIVNY-UHFFFAOYSA-N
MW1146.33 g/mol
LogP20.17
Rot. Bonds6

About 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 177101754) has the molecular formula C81H47N9 and a molecular weight of 1146.33 g/mol. Its IUPAC name is 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID177101754
Molecular FormulaC81H47N9
Molecular Weight1146.33 g/mol
Exact Mass1145.40
IUPAC Name3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1nc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c3c4cccc5c6ccccc6n(c3c2-n2c3ccccc3c3ccccc32)c54)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C81H47N9/c1-12-37-61-48(24-1)49-25-2-13-38-62(49)85(61)75-72-60-36-23-35-59-58-34-11-22-47-71(58)90(74(59)60)76(72)78(87-65-41-16-5-28-52(65)53-29-6-17-42-66(53)87)73(77(75)86-63-39-14-3-26-50(63)51-27-4-15-40-64(51)86)79-82-80(88-67-43-18-7-30-54(67)55-31-8-19-44-68(55)88)84-81(83-79)89-69-45-20-9-32-56(69)57-33-10-21-46-70(57)89/h1-47H
InChIKeyGMNPLHMZJYIVNY-UHFFFAOYSA-N
XLogP20.17
TPSA67.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.33
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
3,19-di(carbazol-9-yl)-1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2,4(18),6,8,10,13,15,17(34),19,21(33),22,24,27,29,31-pentadecaene-12,26-dione
CID 168832328
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176879945
3-[4-carbazol-9-yl-6-(2-fluorocarbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176879960
3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176879941
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 134437111
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762836
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21,23,25,27,29-pentadecaene
CID 168811690
27-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10,27-diazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432908
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530

Frequently Asked Questions

What is the IUPAC name of 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 177101754) is 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)c1ccccc1n2-c1nc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c3c4cccc5c6ccccc6n(c3c2-n2c3ccccc3c3ccccc32)c54)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is GMNPLHMZJYIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H47N9/c1-12-37-61-48(24-1)49-25-2-13-38-62(49)85(61)75-72-60-36-23-35-59-58-34-11-22-47-71(58)90(74(59)60)76(72)78(87-65-41-16-5-28-52(65)53-29-6-17-42-66(53)87)73(77(75)86-63-39-14-3-26-50(63)51-27-4-15-40-64(51)86)79-82-80(88-67-43-18-7-30-54(67)55-31-8-19-44-68(55)88)84-81(83-79)89-69-45-20-9-32-56(69)57-33-10-21-46-70(57)89/h1-47H.
What are the key properties of 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 1146.33 g/mol, XLogP of 20.17, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-tri(carbazol-9-yl)-4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 177101754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).