5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine

C156H140B3N7O3 — CID 163595332

IUPAC5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine
SMILESCC(C)c1cc(C(C)C)c(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5cc(CC(C)c6cc(C(C)C)c(B7c8ccccc8Oc8cc(N9c%10ccccc%10C(C)(C)c%10ccc(CC(C)c%11cc(C(C)C)c(B%12c%13ccc(N%14c%15ccccc%15N(c%15ccccc%15)c%15ccccc%15%14)cc%13Oc%13cc(N%14c%15ccccc%15N(c%15ccccc%15)c%15ccccc%15%14)ccc%13%12)c(C(C)C)c%11)cc%109)ccc87)c(C(C)C)c6)ccc54)ccc32)c(C(C)C)c1
InChIInChI=1S/C156H140B3N7O3/c1-94(2)105-83-118(95(3)4)153(119(84-105)96(5)6)158-129-73-67-110(162-133-52-30-25-47-115(133)116-48-26-31-53-134(116)162)89-149(129)168-150-90-111(68-74-130(150)158)163-135-54-32-27-49-117(135)124-81-103(66-78-136(124)163)79-101(15)106-85-120(97(7)8)154(121(86-106)98(9)10)157-127-51-29-42-64-147(127)167-148-91-112(69-75-128(148)157)164-137-55-33-28-50-125(137)156(17,18)126-72-65-104(82-146(126)164)80-102(16)107-87-122(99(11)12)155(123(88-107)100(13)14)159-131-76-70-113(165-142-60-38-34-56-138(142)160(108-43-21-19-22-44-108)139-57-35-39-61-143(139)165)92-151(131)169-152-93-114(71-77-132(152)159)166-144-62-40-36-58-140(144)161(109-45-23-20-24-46-109)141-59-37-41-63-145(141)166/h19-78,81-102H,79-80H2,1-18H3
InChIKeyGSYKZEFCFUTRCY-UHFFFAOYSA-N
MW2193.32 g/mol
LogP36.92
Rot. Bonds23

About 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine

5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine (PubChem CID 163595332) has the molecular formula C156H140B3N7O3 and a molecular weight of 2193.32 g/mol. Its IUPAC name is 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine
PubChem CID163595332
Molecular FormulaC156H140B3N7O3
Molecular Weight2193.32 g/mol
Exact Mass2192.13
IUPAC Name5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine
SMILESCC(C)c1cc(C(C)C)c(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5cc(CC(C)c6cc(C(C)C)c(B7c8ccccc8Oc8cc(N9c%10ccccc%10C(C)(C)c%10ccc(CC(C)c%11cc(C(C)C)c(B%12c%13ccc(N%14c%15ccccc%15N(c%15ccccc%15)c%15ccccc%15%14)cc%13Oc%13cc(N%14c%15ccccc%15N(c%15ccccc%15)c%15ccccc%15%14)ccc%13%12)c(C(C)C)c%11)cc%109)ccc87)c(C(C)C)c6)ccc54)ccc32)c(C(C)C)c1
InChIInChI=1S/C156H140B3N7O3/c1-94(2)105-83-118(95(3)4)153(119(84-105)96(5)6)158-129-73-67-110(162-133-52-30-25-47-115(133)116-48-26-31-53-134(116)162)89-149(129)168-150-90-111(68-74-130(150)158)163-135-54-32-27-49-117(135)124-81-103(66-78-136(124)163)79-101(15)106-85-120(97(7)8)154(121(86-106)98(9)10)157-127-51-29-42-64-147(127)167-148-91-112(69-75-128(148)157)164-137-55-33-28-50-125(137)156(17,18)126-72-65-104(82-146(126)164)80-102(16)107-87-122(99(11)12)155(123(88-107)100(13)14)159-131-76-70-113(165-142-60-38-34-56-138(142)160(108-43-21-19-22-44-108)139-57-35-39-61-143(139)165)92-151(131)169-152-93-114(71-77-132(152)159)166-144-62-40-36-58-140(144)161(109-45-23-20-24-46-109)141-59-37-41-63-145(141)166/h19-78,81-102H,79-80H2,1-18H3
InChIKeyGSYKZEFCFUTRCY-UHFFFAOYSA-N
XLogP36.92
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002193.32
LogP ≤ 536.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine with MolForge

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Related Compounds

9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 140728726
5-phenyl-11-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]indolo[3,2-b]carbazole
CID 169073479
3-carbazol-9-yl-9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazole
CID 140728623
5-phenyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]phenazine
CID 140728552
10-[10-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-3-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)benzo[b][1,4]benzoxaborinin-7-yl]-2,7-dimethylspiro[acridine-9,9'-fluorene];10-[10-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-3-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)benzo[b][1,4]benzoxaborinin-7-yl]-2,7-dimethylspiro[acridine-9,9'-xanthene];3-(9-phenylcarbazol-3-yl)-9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 161363559
2',7'-dimethyl-10-phenyl-10'-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]-9,9'-spirobi[acridine]
CID 153437555
benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine
CID 158425456
10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]
CID 140835374
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 160691712
6-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-[1]benzofuro[2,3-b]indole
CID 169073484
10-[8-(9',9'-dimethylspiro[acridine-9,10'-anthracene]-10-yl)-5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]-9',9'-dimethylspiro[acridine-9,10'-anthracene]
CID 140835467
3-(3-carbazol-9-ylphenyl)-9-[2-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]carbazole
CID 140728738

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine?
The IUPAC name of 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine (CID 163595332) is 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine?
The canonical SMILES for 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine is CC(C)c1cc(C(C)C)c(B2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3cc(-n4c5ccccc5c5cc(CC(C)c6cc(C(C)C)c(B7c8ccccc8Oc8cc(N9c%10ccccc%10C(C)(C)c%10ccc(CC(C)c%11cc(C(C)C)c(B%12c%13ccc(N%14c%15ccccc%15N(c%15ccccc%15)c%15ccccc%15%14)cc%13Oc%13cc(N%14c%15ccccc%15N(c%15ccccc%15)c%15ccccc%15%14)ccc%13%12)c(C(C)C)c%11)cc%109)ccc87)c(C(C)C)c6)ccc54)ccc32)c(C(C)C)c1.
What is the InChIKey of 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine?
The InChIKey is GSYKZEFCFUTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H140B3N7O3/c1-94(2)105-83-118(95(3)4)153(119(84-105)96(5)6)158-129-73-67-110(162-133-52-30-25-47-115(133)116-48-26-31-53-134(116)162)89-149(129)168-150-90-111(68-74-130(150)158)163-135-54-32-27-49-117(135)124-81-103(66-78-136(124)163)79-101(15)106-85-120(97(7)8)154(121(86-106)98(9)10)157-127-51-29-42-64-147(127)167-148-91-112(69-75-128(148)157)164-137-55-33-28-50-125(137)156(17,18)126-72-65-104(82-146(126)164)80-102(16)107-87-122(99(11)12)155(123(88-107)100(13)14)159-131-76-70-113(165-142-60-38-34-56-138(142)160(108-43-21-19-22-44-108)139-57-35-39-61-143(139)165)92-151(131)169-152-93-114(71-77-132(152)159)166-144-62-40-36-58-140(144)161(109-45-23-20-24-46-109)141-59-37-41-63-145(141)166/h19-78,81-102H,79-80H2,1-18H3.
What are the key properties of 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine?
5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine has a molecular weight of 2193.32 g/mol, XLogP of 36.92, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine is sourced from PubChem (CID 163595332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).