9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole

C227H225N17 — CID 170928164

IUPAC9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c3)n2)cnc1-n1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21
InChIInChI=1S/C227H225N17/c1-212(2,3)133-54-78-181-157(104-133)158-105-134(213(4,5)6)55-79-182(158)233(181)149-70-94-197-173(120-149)174-121-150(234-183-80-56-135(214(7,8)9)106-159(183)160-107-136(215(10,11)12)57-81-184(160)234)71-95-198(174)241(197)205-102-131(128-228-210(205)243-201-98-74-153(237-189-86-62-141(220(25,26)27)112-165(189)166-113-142(221(28,29)30)63-87-190(166)237)124-177(201)178-125-154(75-99-202(178)243)238-191-88-64-143(222(31,32)33)114-167(191)168-115-144(223(34,35)36)65-89-192(168)238)208-230-207(130-52-50-49-51-53-130)231-209(232-208)132-103-206(242-199-96-72-151(235-185-82-58-137(216(13,14)15)108-161(185)162-109-138(217(16,17)18)59-83-186(162)235)122-175(199)176-123-152(73-97-200(176)242)236-187-84-60-139(218(19,20)21)110-163(187)164-111-140(219(22,23)24)61-85-188(164)236)211(229-129-132)244-203-100-76-155(239-193-90-66-145(224(37,38)39)116-169(193)170-117-146(225(40,41)42)67-91-194(170)239)126-179(203)180-127-156(77-101-204(180)244)240-195-92-68-147(226(43,44)45)118-171(195)172-119-148(227(46,47)48)69-93-196(172)240/h49-129H,1-48H3
InChIKeyWRLVODOZVWQTFE-UHFFFAOYSA-N
MW3191.42 g/mol
LogP61.59
Rot. Bonds15

About 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole

9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole (PubChem CID 170928164) has the molecular formula C227H225N17 and a molecular weight of 3191.42 g/mol. Its IUPAC name is 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
PubChem CID170928164
Molecular FormulaC227H225N17
Molecular Weight3191.42 g/mol
Exact Mass3188.81
IUPAC Name9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c3)n2)cnc1-n1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21
InChIInChI=1S/C227H225N17/c1-212(2,3)133-54-78-181-157(104-133)158-105-134(213(4,5)6)55-79-182(158)233(181)149-70-94-197-173(120-149)174-121-150(234-183-80-56-135(214(7,8)9)106-159(183)160-107-136(215(10,11)12)57-81-184(160)234)71-95-198(174)241(197)205-102-131(128-228-210(205)243-201-98-74-153(237-189-86-62-141(220(25,26)27)112-165(189)166-113-142(221(28,29)30)63-87-190(166)237)124-177(201)178-125-154(75-99-202(178)243)238-191-88-64-143(222(31,32)33)114-167(191)168-115-144(223(34,35)36)65-89-192(168)238)208-230-207(130-52-50-49-51-53-130)231-209(232-208)132-103-206(242-199-96-72-151(235-185-82-58-137(216(13,14)15)108-161(185)162-109-138(217(16,17)18)59-83-186(162)235)122-175(199)176-123-152(73-97-200(176)242)236-187-84-60-139(218(19,20)21)110-163(187)164-111-140(219(22,23)24)61-85-188(164)236)211(229-129-132)244-203-100-76-155(239-193-90-66-145(224(37,38)39)116-169(193)170-117-146(225(40,41)42)67-91-194(170)239)126-179(203)180-127-156(77-101-204(180)244)240-195-92-68-147(226(43,44)45)118-171(195)172-119-148(227(46,47)48)69-93-196(172)240/h49-129H,1-48H3
InChIKeyWRLVODOZVWQTFE-UHFFFAOYSA-N
XLogP61.59
TPSA123.61 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.42
LogP ≤ 561.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole with MolForge

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Related Compounds

3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]carbazole
CID 162049895
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]carbazole
CID 140903129
8-[2-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131365
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555883
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
5-(3-tert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476705
4-(3-tert-butylcarbazol-9-yl)-2-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003329
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The IUPAC name of 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole (CID 170928164) is 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c(-n4c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)cc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c3)n2)cnc1-n1c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2c2cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc21.
What is the InChIKey of 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The InChIKey is WRLVODOZVWQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C227H225N17/c1-212(2,3)133-54-78-181-157(104-133)158-105-134(213(4,5)6)55-79-182(158)233(181)149-70-94-197-173(120-149)174-121-150(234-183-80-56-135(214(7,8)9)106-159(183)160-107-136(215(10,11)12)57-81-184(160)234)71-95-198(174)241(197)205-102-131(128-228-210(205)243-201-98-74-153(237-189-86-62-141(220(25,26)27)112-165(189)166-113-142(221(28,29)30)63-87-190(166)237)124-177(201)178-125-154(75-99-202(178)243)238-191-88-64-143(222(31,32)33)114-167(191)168-115-144(223(34,35)36)65-89-192(168)238)208-230-207(130-52-50-49-51-53-130)231-209(232-208)132-103-206(242-199-96-72-151(235-185-82-58-137(216(13,14)15)108-161(185)162-109-138(217(16,17)18)59-83-186(162)235)122-175(199)176-123-152(73-97-200(176)242)236-187-84-60-139(218(19,20)21)110-163(187)164-111-140(219(22,23)24)61-85-188(164)236)211(229-129-132)244-203-100-76-155(239-193-90-66-145(224(37,38)39)116-169(193)170-117-146(225(40,41)42)67-91-194(170)239)126-179(203)180-127-156(77-101-204(180)244)240-195-92-68-147(226(43,44)45)118-171(195)172-119-148(227(46,47)48)69-93-196(172)240/h49-129H,1-48H3.
What are the key properties of 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole has a molecular weight of 3191.42 g/mol, XLogP of 61.59, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-[5,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]-3-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole is sourced from PubChem (CID 170928164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).