2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole

C152H88N16O6 — CID 155366489

IUPAC2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(-c8cccc(-c9cc%10nc(-c%11ccc%12c(c%11)c%11cc(-c%13nc%14ccc(-c%15ccc%16oc(-c%17ccc%18c(c%17)c%17cc(-c%19nc%20ccccc%20o%19)ccc%17n%18-c%17ccc(-c%18nc%19ccccc%19n%18-c%18ccccc%18)cn%17)nc%16c%15)cc%14o%13)ccc%11n%12-c%11ccc(-c%12nc%13ccccc%13n%12-c%12ccccc%12)cc%11)oc%10cc9-c9ccccc9)c8)cc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1
InChIInChI=1S/C152H88N16O6/c1-6-25-89(26-7-1)95-49-64-123-139(83-95)171-148(158-123)100-52-67-128-113(76-100)114-77-101(53-68-129(114)163(128)109-60-45-91(46-61-109)144-154-119-37-16-20-41-134(119)165(144)106-31-10-3-11-32-106)149-159-124-65-50-96(84-140(124)172-149)93-29-24-30-98(75-93)111-86-127-142(87-112(111)90-27-8-2-9-28-90)174-152(162-127)104-55-70-131-116(79-104)115-78-102(54-69-130(115)164(131)110-62-47-92(48-63-110)145-155-120-38-17-21-42-135(120)166(145)107-33-12-4-13-34-107)150-160-125-66-51-97(85-141(125)173-150)94-58-73-138-126(82-94)161-151(170-138)103-57-72-133-118(81-103)117-80-99(147-157-122-40-19-23-44-137(122)169-147)56-71-132(117)168(133)143-74-59-105(88-153-143)146-156-121-39-18-22-43-136(121)167(146)108-35-14-5-15-36-108/h1-88H
InChIKeyLDOWDNBRUZPKEQ-UHFFFAOYSA-N
MW2234.48 g/mol
LogP38.57
Rot. Bonds20

About 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole

2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole (PubChem CID 155366489) has the molecular formula C152H88N16O6 and a molecular weight of 2234.48 g/mol. Its IUPAC name is 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
PubChem CID155366489
Molecular FormulaC152H88N16O6
Molecular Weight2234.48 g/mol
Exact Mass2232.71
IUPAC Name2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(-c8cccc(-c9cc%10nc(-c%11ccc%12c(c%11)c%11cc(-c%13nc%14ccc(-c%15ccc%16oc(-c%17ccc%18c(c%17)c%17cc(-c%19nc%20ccccc%20o%19)ccc%17n%18-c%17ccc(-c%18nc%19ccccc%19n%18-c%18ccccc%18)cn%17)nc%16c%15)cc%14o%13)ccc%11n%12-c%11ccc(-c%12nc%13ccccc%13n%12-c%12ccccc%12)cc%11)oc%10cc9-c9ccccc9)c8)cc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1
InChIInChI=1S/C152H88N16O6/c1-6-25-89(26-7-1)95-49-64-123-139(83-95)171-148(158-123)100-52-67-128-113(76-100)114-77-101(53-68-129(114)163(128)109-60-45-91(46-61-109)144-154-119-37-16-20-41-134(119)165(144)106-31-10-3-11-32-106)149-159-124-65-50-96(84-140(124)172-149)93-29-24-30-98(75-93)111-86-127-142(87-112(111)90-27-8-2-9-28-90)174-152(162-127)104-55-70-131-116(79-104)115-78-102(54-69-130(115)164(131)110-62-47-92(48-63-110)145-155-120-38-17-21-42-135(120)166(145)107-33-12-4-13-34-107)150-160-125-66-51-97(85-141(125)173-150)94-58-73-138-126(82-94)161-151(170-138)103-57-72-133-118(81-103)117-80-99(147-157-122-40-19-23-44-137(122)169-147)56-71-132(117)168(133)143-74-59-105(88-153-143)146-156-121-39-18-22-43-136(121)167(146)108-35-14-5-15-36-108/h1-88H
InChIKeyLDOWDNBRUZPKEQ-UHFFFAOYSA-N
XLogP38.57
TPSA237.32 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002234.48
LogP ≤ 538.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole (CID 155366489) is 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(-c8cccc(-c9cc%10nc(-c%11ccc%12c(c%11)c%11cc(-c%13nc%14ccc(-c%15ccc%16oc(-c%17ccc%18c(c%17)c%17cc(-c%19nc%20ccccc%20o%19)ccc%17n%18-c%17ccc(-c%18nc%19ccccc%19n%18-c%18ccccc%18)cn%17)nc%16c%15)cc%14o%13)ccc%11n%12-c%11ccc(-c%12nc%13ccccc%13n%12-c%12ccccc%12)cc%11)oc%10cc9-c9ccccc9)c8)cc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.
What is the InChIKey of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
The InChIKey is LDOWDNBRUZPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H88N16O6/c1-6-25-89(26-7-1)95-49-64-123-139(83-95)171-148(158-123)100-52-67-128-113(76-100)114-77-101(53-68-129(114)163(128)109-60-45-91(46-61-109)144-154-119-37-16-20-41-134(119)165(144)106-31-10-3-11-32-106)149-159-124-65-50-96(84-140(124)172-149)93-29-24-30-98(75-93)111-86-127-142(87-112(111)90-27-8-2-9-28-90)174-152(162-127)104-55-70-131-116(79-104)115-78-102(54-69-130(115)164(131)110-62-47-92(48-63-110)145-155-120-38-17-21-42-135(120)166(145)107-33-12-4-13-34-107)150-160-125-66-51-97(85-141(125)173-150)94-58-73-138-126(82-94)161-151(170-138)103-57-72-133-118(81-103)117-80-99(147-157-122-40-19-23-44-137(122)169-147)56-71-132(117)168(133)143-74-59-105(88-153-143)146-156-121-39-18-22-43-136(121)167(146)108-35-14-5-15-36-108/h1-88H.
What are the key properties of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole?
2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole has a molecular weight of 2234.48 g/mol, XLogP of 38.57, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazol-5-yl]-1,3-benzoxazol-2-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-5-[3-[2-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 155366489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).