38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine

C105H71BN6 — CID 174094157

IUPAC38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine
SMILESCC12Cc3c4c(cc5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccccc6c35)-n3c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)cc(c53)B4c3cc(N(c4ccccc4)c4ccccc4)cc(c31)-c1cc(N(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C105H71BN6/c1-105-68-93-101-86-51-27-26-48-82(86)87-60-79(111-97-52-30-28-49-84(97)85-50-29-31-53-98(85)111)54-57-83(87)90(101)67-100-103(93)106(95-65-80(109(73-40-18-6-19-41-73)74-42-20-7-21-43-74)63-91(102(95)105)88-61-77(55-58-94(88)105)107(69-32-10-2-11-33-69)70-34-12-3-13-35-70)96-66-81(110(75-44-22-8-23-45-75)76-46-24-9-25-47-76)64-92-89-62-78(56-59-99(89)112(100)104(92)96)108(71-36-14-4-15-37-71)72-38-16-5-17-39-72/h2-67H,68H2,1H3
InChIKeyMPFBNGBDTFTRBA-UHFFFAOYSA-N
MW1427.58 g/mol
LogP25.89
Rot. Bonds13

About 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine

38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine (PubChem CID 174094157) has the molecular formula C105H71BN6 and a molecular weight of 1427.58 g/mol. Its IUPAC name is 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine.

Molecular Properties

Compound Name38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine
PubChem CID174094157
Molecular FormulaC105H71BN6
Molecular Weight1427.58 g/mol
Exact Mass1426.58
IUPAC Name38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine
SMILESCC12Cc3c4c(cc5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccccc6c35)-n3c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)cc(c53)B4c3cc(N(c4ccccc4)c4ccccc4)cc(c31)-c1cc(N(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C105H71BN6/c1-105-68-93-101-86-51-27-26-48-82(86)87-60-79(111-97-52-30-28-49-84(97)85-50-29-31-53-98(85)111)54-57-83(87)90(101)67-100-103(93)106(95-65-80(109(73-40-18-6-19-41-73)74-42-20-7-21-43-74)63-91(102(95)105)88-61-77(55-58-94(88)105)107(69-32-10-2-11-33-69)70-34-12-3-13-35-70)96-66-81(110(75-44-22-8-23-45-75)76-46-24-9-25-47-76)64-92-89-62-78(56-59-99(89)112(100)104(92)96)108(71-36-14-4-15-37-71)72-38-16-5-17-39-72/h2-67H,68H2,1H3
InChIKeyMPFBNGBDTFTRBA-UHFFFAOYSA-N
XLogP25.89
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.58
LogP ≤ 525.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine with MolForge

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Related Compounds

6,11,17,22-tetramethyl-N,N-diphenyl-2,26-diaza-14-boradodecacyclo[25.15.1.12,9.115,19.03,8.014,43.020,25.028,41.029,34.035,40.013,45.026,44]pentatetraconta-1(43),3(8),4,6,9(45),10,12,15,17,19(44),20(25),21,23,27,29,31,33,35(40),36,38,41-henicosaen-37-amine
CID 174094103
11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine
CID 90051042
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-tert-butylphenyl)-9-phenyl-N-[3-(4,9,16,27-tetratert-butyl-19,19-dimethyl-13,23-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),7(12),8,10,14,16,18(33),20,22(30),24(29),25,27,31-pentadecaen-23-yl)phenyl]carbazol-3-amine
CID 171468851
N-(4-carbazol-9-ylphenyl)-N-phenylnonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaen-5-amine
CID 153308687
29-carbazol-9-yl-N,N-bis(4-phenylphenyl)-20,26-di(triphenylen-2-yl)-20,26-diaza-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21,23,25(33),27(32),28,30-pentadecaen-23-amine
CID 168843356
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732

Frequently Asked Questions

What is the IUPAC name of 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine?
The IUPAC name of 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine (CID 174094157) is 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine.
What is the SMILES notation for 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine?
The canonical SMILES for 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine is CC12Cc3c4c(cc5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6ccccc6c35)-n3c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)cc(c53)B4c3cc(N(c4ccccc4)c4ccccc4)cc(c31)-c1cc(N(c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine?
The InChIKey is MPFBNGBDTFTRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H71BN6/c1-105-68-93-101-86-51-27-26-48-82(86)87-60-79(111-97-52-30-28-49-84(97)85-50-29-31-53-98(85)111)54-57-83(87)90(101)67-100-103(93)106(95-65-80(109(73-40-18-6-19-41-73)74-42-20-7-21-43-74)63-91(102(95)105)88-61-77(55-58-94(88)105)107(69-32-10-2-11-33-69)70-34-12-3-13-35-70)96-66-81(110(75-44-22-8-23-45-75)76-46-24-9-25-47-76)64-92-89-62-78(56-59-99(89)112(100)104(92)96)108(71-36-14-4-15-37-71)72-38-16-5-17-39-72/h2-67H,68H2,1H3.
What are the key properties of 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine?
38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine has a molecular weight of 1427.58 g/mol, XLogP of 25.89, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 38-carbazol-9-yl-26-methyl-6-N,6-N,11-N,11-N,17-N,17-N,22-N,22-N-octakis-phenyl-2-aza-14-boradodecacyclo[26.15.1.12,9.115,19.03,8.014,44.020,25.029,42.030,35.036,41.013,46.026,45]hexatetraconta-1(44),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,28,30,32,34,36(41),37,39,42-henicosaene-6,11,17,22-tetramine is sourced from PubChem (CID 174094157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).