9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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

C69H41N7 — CID 177101753

IUPAC9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(c4c3)c65)n2)cc1
InChIInChI=1S/C69H41N7/c1-3-21-42(22-4-1)67-70-68(43-23-5-2-6-24-43)72-69(71-67)44-39-40-52-60(41-44)76-59-38-20-13-31-51(59)61-63(76)62(52)65(74-55-34-16-9-27-47(55)48-28-10-17-35-56(48)74)66(75-57-36-18-11-29-49(57)50-30-12-19-37-58(50)75)64(61)73-53-32-14-7-25-45(53)46-26-8-15-33-54(46)73/h1-41H
InChIKeyDZWOYQFFUXRLBT-UHFFFAOYSA-N
MW968.14 g/mol
LogP17.31
Rot. Bonds6

About 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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

9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 177101753) has the molecular formula C69H41N7 and a molecular weight of 968.14 g/mol. Its IUPAC name is 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 Name9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 CID177101753
Molecular FormulaC69H41N7
Molecular Weight968.14 g/mol
Exact Mass967.34
IUPAC Name9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(c4c3)c65)n2)cc1
InChIInChI=1S/C69H41N7/c1-3-21-42(22-4-1)67-70-68(43-23-5-2-6-24-43)72-69(71-67)44-39-40-52-60(41-44)76-59-38-20-13-31-51(59)61-63(76)62(52)65(74-55-34-16-9-27-47(55)48-28-10-17-35-56(48)74)66(75-57-36-18-11-29-49(57)50-30-12-19-37-58(50)75)64(61)73-53-32-14-7-25-45(53)46-26-8-15-33-54(46)73/h1-41H
InChIKeyDZWOYQFFUXRLBT-UHFFFAOYSA-N
XLogP17.31
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.14
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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

21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757229
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 163783995
9-(4-carbazol-9-yl-6-phenyl-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 176880022
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
19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,19-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4,6,8,11,13,15,18(26),20,22,24,27-tridecaene
CID 90433052
4-(2,6-diphenylpyrimidin-4-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;4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[4-phenyl-6-(4-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 159186734
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757173
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
10-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121286300
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757161

Frequently Asked Questions

What is the IUPAC name of 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 177101753) is 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)c(-n6c7ccccc7c7ccccc76)c6c7ccccc7n(c4c3)c65)n2)cc1.
What is the InChIKey of 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 DZWOYQFFUXRLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N7/c1-3-21-42(22-4-1)67-70-68(43-23-5-2-6-24-43)72-69(71-67)44-39-40-52-60(41-44)76-59-38-20-13-31-51(59)61-63(76)62(52)65(74-55-34-16-9-27-47(55)48-28-10-17-35-56(48)74)66(75-57-36-18-11-29-49(57)50-30-12-19-37-58(50)75)64(61)73-53-32-14-7-25-45(53)46-26-8-15-33-54(46)73/h1-41H.
What are the key properties of 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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?
9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 968.14 g/mol, XLogP of 17.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,11-tri(carbazol-9-yl)-4-(4,6-diphenyl-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 177101753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).