16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene

C66H40N4 — CID 168811683

IUPAC16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
SMILESc1ccc2c(c1)c1ccccc1c1cccc3c4ccccc4n(c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(-n5c6ccccc6c6ccccc65)cc24)c13
InChIInChI=1S/C66H40N4/c1-3-20-44-42(18-1)43-19-2-4-21-45(43)55-39-64(68-58-32-13-7-24-48(58)49-25-8-14-33-59(49)68)65(40-63(55)70-61-35-16-9-26-50(61)53-29-17-28-52(44)66(53)70)69-60-34-15-10-27-51(60)54-38-41(36-37-62(54)69)67-56-30-11-5-22-46(56)47-23-6-12-31-57(47)67/h1-40H
InChIKeyHJZXWFLDMFOMRP-UHFFFAOYSA-N
MW889.07 g/mol
LogP17.56
Rot. Bonds3

About 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene

16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene (PubChem CID 168811683) has the molecular formula C66H40N4 and a molecular weight of 889.07 g/mol. Its IUPAC name is 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
PubChem CID168811683
Molecular FormulaC66H40N4
Molecular Weight889.07 g/mol
Exact Mass888.33
IUPAC Name16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
SMILESc1ccc2c(c1)c1ccccc1c1cccc3c4ccccc4n(c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(-n5c6ccccc6c6ccccc65)cc24)c13
InChIInChI=1S/C66H40N4/c1-3-20-44-42(18-1)43-19-2-4-21-45(43)55-39-64(68-58-32-13-7-24-48(58)49-25-8-14-33-59(49)68)65(40-63(55)70-61-35-16-9-26-50(61)53-29-17-28-52(44)66(53)70)69-60-34-15-10-27-51(60)54-38-41(36-37-62(54)69)67-56-30-11-5-22-46(56)47-23-6-12-31-57(47)67/h1-40H
InChIKeyHJZXWFLDMFOMRP-UHFFFAOYSA-N
XLogP17.56
TPSA19.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.07
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene with MolForge

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Related Compounds

4-(3-carbazol-9-ylcarbazol-9-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 118422803
3-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21,23,25,27(31),28-pentadecaene
CID 168811827
4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-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
CID 118179695
33-carbazol-9-yl-1,13,20-triazadecacyclo[18.16.2.12,6.07,12.014,19.021,26.027,38.030,37.031,36.013,39]nonatriaconta-2,4,6(39),7,9,11,14,16,18,21,23,25,27(38),28,30(37),31(36),32,34-octadecaene
CID 162480548
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-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 118422800
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
(30-carbazol-9-yl-8,26-diazanonacyclo[24.10.1.18,15.02,7.09,14.020,25.027,32.033,37.019,38]octatriaconta-1(37),2,4,6,9(14),10,12,15,17,19(38),20,22,24,27(32),28,30,33,35-octadecaen-12-yl)-triphenylsilane
CID 168811390
4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-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 118179732
11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene
CID 168811672
5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
CID 163886824
4-[4-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-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
CID 118179769
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-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
CID 118179751

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene?
The IUPAC name of 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene (CID 168811683) is 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene.
What is the SMILES notation for 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene?
The canonical SMILES for 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene is c1ccc2c(c1)c1ccccc1c1cccc3c4ccccc4n(c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c(-n5c6ccccc6c6ccccc65)cc24)c13.
What is the InChIKey of 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene?
The InChIKey is HJZXWFLDMFOMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N4/c1-3-20-44-42(18-1)43-19-2-4-21-45(43)55-39-64(68-58-32-13-7-24-48(58)49-25-8-14-33-59(49)68)65(40-63(55)70-61-35-16-9-26-50(61)53-29-17-28-52(44)66(53)70)69-60-34-15-10-27-51(60)54-38-41(36-37-62(54)69)67-56-30-11-5-22-46(56)47-23-6-12-31-57(47)67/h1-40H.
What are the key properties of 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene?
16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene has a molecular weight of 889.07 g/mol, XLogP of 17.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 168811683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).