9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C262H212N22O2 — CID 158682352

IUPAC9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6CC(C)C)ccc3n4CCCc3ccc(-c4nc(-c5ccc(CCCn6c7ccc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)ccc76)cc5)nc(-c5ccc(CCCn6c7ccc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)ccc76)cc5)n4)cc3)ccc21.c1cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)c1
InChIInChI=1S/C162H144N12.C100H68N10O2/c1-100(2)94-169-142-37-19-13-31-124(142)130-82-112(61-73-154(130)169)118-55-67-148-136(88-118)137-89-119(113-62-74-155-131(83-113)125-32-14-20-38-143(125)170(155)95-101(3)4)56-68-149(137)166(148)79-25-28-106-43-49-109(50-44-106)160-163-161(110-51-45-107(46-52-110)29-26-80-167-150-69-57-120(114-63-75-156-132(84-114)126-33-15-21-39-144(126)171(156)96-102(5)6)90-138(150)139-91-121(58-70-151(139)167)115-64-76-157-133(85-115)127-34-16-22-40-145(127)172(157)97-103(7)8)165-162(164-160)111-53-47-108(48-54-111)30-27-81-168-152-71-59-122(116-65-77-158-134(86-116)128-35-17-23-41-146(128)173(158)98-104(9)10)92-140(152)141-93-123(60-72-153(141)168)117-66-78-159-135(87-117)129-36-18-24-42-147(129)174(159)99-105(11)12;1-9-32-89-73(24-1)74-25-2-10-33-90(74)107(89)69-48-52-85-81(59-69)82-60-70(108-91-34-11-3-26-75(91)76-27-4-12-35-92(76)108)49-53-86(82)105(85)56-18-20-63-40-44-65(45-41-63)97-101-103-99(111-97)67-22-17-23-68(58-67)100-104-102-98(112-100)66-46-42-64(43-47-66)21-19-57-106-87-54-50-71(109-93-36-13-5-28-77(93)78-29-6-14-37-94(78)109)61-83(87)84-62-72(51-55-88(84)106)110-95-38-15-7-30-79(95)80-31-8-16-39-96(80)110/h13-24,31-78,82-93,100-105H,25-30,79-81,94-99H2,1-12H3;1-17,22-55,58-62H,18-21,56-57H2
InChIKeyIFHHMTRYPFZEPH-UHFFFAOYSA-N
MW3700.73 g/mol
LogP67.67
Rot. Bonds49

About 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 158682352) has the molecular formula C262H212N22O2 and a molecular weight of 3700.73 g/mol. Its IUPAC name is 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID158682352
Molecular FormulaC262H212N22O2
Molecular Weight3700.73 g/mol
Exact Mass3697.72
IUPAC Name9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6CC(C)C)ccc3n4CCCc3ccc(-c4nc(-c5ccc(CCCn6c7ccc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)ccc76)cc5)nc(-c5ccc(CCCn6c7ccc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)ccc76)cc5)n4)cc3)ccc21.c1cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)c1
InChIInChI=1S/C162H144N12.C100H68N10O2/c1-100(2)94-169-142-37-19-13-31-124(142)130-82-112(61-73-154(130)169)118-55-67-148-136(88-118)137-89-119(113-62-74-155-131(83-113)125-32-14-20-38-143(125)170(155)95-101(3)4)56-68-149(137)166(148)79-25-28-106-43-49-109(50-44-106)160-163-161(110-51-45-107(46-52-110)29-26-80-167-150-69-57-120(114-63-75-156-132(84-114)126-33-15-21-39-144(126)171(156)96-102(5)6)90-138(150)139-91-121(58-70-151(139)167)115-64-76-157-133(85-115)127-34-16-22-40-145(127)172(157)97-103(7)8)165-162(164-160)111-53-47-108(48-54-111)30-27-81-168-152-71-59-122(116-65-77-158-134(86-116)128-35-17-23-41-146(128)173(158)98-104(9)10)92-140(152)141-93-123(60-72-153(141)168)117-66-78-159-135(87-117)129-36-18-24-42-147(129)174(159)99-105(11)12;1-9-32-89-73(24-1)74-25-2-10-33-90(74)107(89)69-48-52-85-81(59-69)82-60-70(108-91-34-11-3-26-75(91)76-27-4-12-35-92(76)108)49-53-86(82)105(85)56-18-20-63-40-44-65(45-41-63)97-101-103-99(111-97)67-22-17-23-68(58-67)100-104-102-98(112-100)66-46-42-64(43-47-66)21-19-57-106-87-54-50-71(109-93-36-13-5-28-77(93)78-29-6-14-37-94(78)109)61-83(87)84-62-72(51-55-88(84)106)110-95-38-15-7-30-79(95)80-31-8-16-39-96(80)110/h13-24,31-78,82-93,100-105H,25-30,79-81,94-99H2,1-12H3;1-17,22-55,58-62H,18-21,56-57H2
InChIKeyIFHHMTRYPFZEPH-UHFFFAOYSA-N
XLogP67.67
TPSA190.46 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds49
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003700.73
LogP ≤ 567.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 158682352) is 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is CC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6CC(C)C)ccc3n4CCCc3ccc(-c4nc(-c5ccc(CCCn6c7ccc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)ccc76)cc5)nc(-c5ccc(CCCn6c7ccc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9CC(C)C)ccc76)cc5)n4)cc3)ccc21.c1cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)c1.
What is the InChIKey of 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is IFHHMTRYPFZEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H144N12.C100H68N10O2/c1-100(2)94-169-142-37-19-13-31-124(142)130-82-112(61-73-154(130)169)118-55-67-148-136(88-118)137-89-119(113-62-74-155-131(83-113)125-32-14-20-38-143(125)170(155)95-101(3)4)56-68-149(137)166(148)79-25-28-106-43-49-109(50-44-106)160-163-161(110-51-45-107(46-52-110)29-26-80-167-150-69-57-120(114-63-75-156-132(84-114)126-33-15-21-39-144(126)171(156)96-102(5)6)90-138(150)139-91-121(58-70-151(139)167)115-64-76-157-133(85-115)127-34-16-22-40-145(127)172(157)97-103(7)8)165-162(164-160)111-53-47-108(48-54-111)30-27-81-168-152-71-59-122(116-65-77-158-134(86-116)128-35-17-23-41-146(128)173(158)98-104(9)10)92-140(152)141-93-123(60-72-153(141)168)117-66-78-159-135(87-117)129-36-18-24-42-147(129)174(159)99-105(11)12;1-9-32-89-73(24-1)74-25-2-10-33-90(74)107(89)69-48-52-85-81(59-69)82-60-70(108-91-34-11-3-26-75(91)76-27-4-12-35-92(76)108)49-53-86(82)105(85)56-18-20-63-40-44-65(45-41-63)97-101-103-99(111-97)67-22-17-23-68(58-67)100-104-102-98(112-100)66-46-42-64(43-47-66)21-19-57-106-87-54-50-71(109-93-36-13-5-28-77(93)78-29-6-14-37-94(78)109)61-83(87)84-62-72(51-55-88(84)106)110-95-38-15-7-30-79(95)80-31-8-16-39-96(80)110/h13-24,31-78,82-93,100-105H,25-30,79-81,94-99H2,1-12H3;1-17,22-55,58-62H,18-21,56-57H2.
What are the key properties of 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 3700.73 g/mol, XLogP of 67.67, 49 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4,6-bis[4-[3-[3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazol-9-yl]propyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propyl]-3,6-bis[9-(2-methylpropyl)carbazol-3-yl]carbazole;2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158682352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).