2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine

C222H147N19O10 — CID 164791542

IUPAC2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccc(OCCCOc6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)cc5c5cc(OCCCOc6ccc7c(c6)oc6c(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)nc67)ccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccc(OCCCOc6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)cc5c5cc(OCCCOc6ccc7c(c6)oc6c(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)nc67)ccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C222H147N19O10/c1-3-55-136(56-4-1)174-133-175(137-57-5-2-6-58-137)224-222(223-174)212-215(237-192-97-45-23-75-162(192)163-76-24-46-98-193(163)237)217(240-198-111-105-138(242-115-51-119-246-142-103-109-168-204(127-142)250-220-202(229-176-81-29-7-59-146(176)147-60-8-30-82-177(147)229)134-210(227-213(168)220)235-188-93-41-19-71-158(188)159-72-20-42-94-189(159)235)123-170(198)172-125-140(107-113-200(172)240)244-117-53-121-248-144-129-206(231-180-85-33-11-63-150(180)151-64-12-34-86-181(151)231)225-207(130-144)232-182-87-35-13-65-152(182)153-66-14-36-88-183(153)232)219(239-196-101-49-27-79-166(196)167-80-28-50-102-197(167)239)218(216(212)238-194-99-47-25-77-164(194)165-78-26-48-100-195(165)238)241-199-112-106-139(243-116-52-120-247-143-104-110-169-205(128-143)251-221-203(230-178-83-31-9-61-148(178)149-62-10-32-84-179(149)230)135-211(228-214(169)221)236-190-95-43-21-73-160(190)161-74-22-44-96-191(161)236)124-171(199)173-126-141(108-114-201(173)241)245-118-54-122-249-145-131-208(233-184-89-37-15-67-154(184)155-68-16-38-90-185(155)233)226-209(132-145)234-186-91-39-17-69-156(186)157-70-18-40-92-187(157)234/h1-50,55-114,123-135H,51-54,115-122H2
InChIKeyZYQYGYLYUGXPNU-UHFFFAOYSA-N
MW3240.74 g/mol
LogP54.51
Rot. Bonds40

About 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine

2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine (PubChem CID 164791542) has the molecular formula C222H147N19O10 and a molecular weight of 3240.74 g/mol. Its IUPAC name is 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
PubChem CID164791542
Molecular FormulaC222H147N19O10
Molecular Weight3240.74 g/mol
Exact Mass3238.16
IUPAC Name2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccc(OCCCOc6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)cc5c5cc(OCCCOc6ccc7c(c6)oc6c(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)nc67)ccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccc(OCCCOc6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)cc5c5cc(OCCCOc6ccc7c(c6)oc6c(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)nc67)ccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C222H147N19O10/c1-3-55-136(56-4-1)174-133-175(137-57-5-2-6-58-137)224-222(223-174)212-215(237-192-97-45-23-75-162(192)163-76-24-46-98-193(163)237)217(240-198-111-105-138(242-115-51-119-246-142-103-109-168-204(127-142)250-220-202(229-176-81-29-7-59-146(176)147-60-8-30-82-177(147)229)134-210(227-213(168)220)235-188-93-41-19-71-158(188)159-72-20-42-94-189(159)235)123-170(198)172-125-140(107-113-200(172)240)244-117-53-121-248-144-129-206(231-180-85-33-11-63-150(180)151-64-12-34-86-181(151)231)225-207(130-144)232-182-87-35-13-65-152(182)153-66-14-36-88-183(153)232)219(239-196-101-49-27-79-166(196)167-80-28-50-102-197(167)239)218(216(212)238-194-99-47-25-77-164(194)165-78-26-48-100-195(165)238)241-199-112-106-139(243-116-52-120-247-143-104-110-169-205(128-143)251-221-203(230-178-83-31-9-61-148(178)149-62-10-32-84-179(149)230)135-211(228-214(169)221)236-190-95-43-21-73-160(190)161-74-22-44-96-191(161)236)124-171(199)173-126-141(108-114-201(173)241)245-118-54-122-249-145-131-208(233-184-89-37-15-67-154(184)155-68-16-38-90-185(155)233)226-209(132-145)234-186-91-39-17-69-156(186)157-70-18-40-92-187(157)234/h1-50,55-114,123-135H,51-54,115-122H2
InChIKeyZYQYGYLYUGXPNU-UHFFFAOYSA-N
XLogP54.51
TPSA241.55 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.74
LogP ≤ 554.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
CID 167107587
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146511875
6,8-diphenyl-20-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-10-oxa-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 176726038
9-[2-(4,6-diphenylpyrimidin-2-yl)-3,4,5-tris(3-methylcarbazol-9-yl)-6-(6-methyl-2-pyridinyl)phenyl]-3-methylcarbazole
CID 151058896
2,5-di(carbazol-9-yl)-3,6-bis(4,6-diphenylpyrimidin-2-yl)benzene-1,4-diamine
CID 146472248
3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole;5-phenyl-10-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]phenazine
CID 165044370
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 155138334
9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
CID 153300022
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
9-[3,4,5-tris(3-cyanocarbazol-9-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-pyridin-4-ylphenyl]carbazole-3-carbonitrile
CID 139545281
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155138272
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 150665244

Frequently Asked Questions

What is the IUPAC name of 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine (CID 164791542) is 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccc(OCCCOc6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)cc5c5cc(OCCCOc6ccc7c(c6)oc6c(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)nc67)ccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccc(OCCCOc6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)cc5c5cc(OCCCOc6ccc7c(c6)oc6c(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)nc67)ccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ZYQYGYLYUGXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C222H147N19O10/c1-3-55-136(56-4-1)174-133-175(137-57-5-2-6-58-137)224-222(223-174)212-215(237-192-97-45-23-75-162(192)163-76-24-46-98-193(163)237)217(240-198-111-105-138(242-115-51-119-246-142-103-109-168-204(127-142)250-220-202(229-176-81-29-7-59-146(176)147-60-8-30-82-177(147)229)134-210(227-213(168)220)235-188-93-41-19-71-158(188)159-72-20-42-94-189(159)235)123-170(198)172-125-140(107-113-200(172)240)244-117-53-121-248-144-129-206(231-180-85-33-11-63-150(180)151-64-12-34-86-181(151)231)225-207(130-144)232-182-87-35-13-65-152(182)153-66-14-36-88-183(153)232)219(239-196-101-49-27-79-166(196)167-80-28-50-102-197(167)239)218(216(212)238-194-99-47-25-77-164(194)165-78-26-48-100-195(165)238)241-199-112-106-139(243-116-52-120-247-143-104-110-169-205(128-143)251-221-203(230-178-83-31-9-61-148(178)149-62-10-32-84-179(149)230)135-211(228-214(169)221)236-190-95-43-21-73-160(190)161-74-22-44-96-191(161)236)124-171(199)173-126-141(108-114-201(173)241)245-118-54-122-249-145-131-208(233-184-89-37-15-67-154(184)155-68-16-38-90-185(155)233)226-209(132-145)234-186-91-39-17-69-156(186)157-70-18-40-92-187(157)234/h1-50,55-114,123-135H,51-54,115-122H2.
What are the key properties of 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?
2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 3240.74 g/mol, XLogP of 54.51, 40 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 164791542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).