N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline

C196H168N10O2S4 — CID 118857968

IUPACN-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(C3(c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(c%15ccc(-c%17nnc(-c%18ccc(C(C)(C)C)cc%18)o%17)cc%15)(c%15ccc(-c%17nnc(-c%18ccc(C(C)(C)C)cc%18)o%17)cc%15)c%15cc(C)ccc%15-%16)ccc%13-%14)c%13nsnc%12%13)ccc%10-%11)s9)c9nsnc89)s7)ccc5-6)cc43)cc2)cc1
InChIInChI=1S/C196H168N10O2S4/c1-21-25-29-119-35-73-143(74-36-119)205(144-75-37-120(38-76-144)30-26-22-2)147-81-69-141(70-82-147)196(142-71-83-148(84-72-142)206(145-77-39-121(40-78-145)31-27-23-3)146-79-41-122(42-80-146)32-28-24-4)175-111-131(127-51-87-152-151-85-33-117(5)105-165(151)191(13,14)166(152)107-127)55-91-161(175)162-92-56-132(112-176(162)196)129-53-89-154-157-95-59-135(115-171(157)193(17,18)168(154)109-129)177-101-103-179(209-177)163-99-100-164(184-183(163)203-212-204-184)180-104-102-178(210-180)136-60-96-158-156-94-58-134(114-170(156)194(19,20)172(158)116-136)150-98-97-149(181-182(150)202-211-201-181)133-57-93-155-153-88-52-128(108-167(153)192(15,16)169(155)113-133)130-54-90-160-159-86-34-118(6)106-173(159)195(174(160)110-130,139-65-47-125(48-66-139)187-199-197-185(207-187)123-43-61-137(62-44-123)189(7,8)9)140-67-49-126(50-68-140)188-200-198-186(208-188)124-45-63-138(64-46-124)190(10,11)12/h33-116H,21-32H2,1-20H3
InChIKeyZSZFBTNRPMVNEN-UHFFFAOYSA-N
MW2823.84 g/mol
LogP53.73
Rot. Bonds35

About N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline

N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline (PubChem CID 118857968) has the molecular formula C196H168N10O2S4 and a molecular weight of 2823.84 g/mol. Its IUPAC name is N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline
PubChem CID118857968
Molecular FormulaC196H168N10O2S4
Molecular Weight2823.84 g/mol
Exact Mass2821.22
IUPAC NameN-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(C3(c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(c%15ccc(-c%17nnc(-c%18ccc(C(C)(C)C)cc%18)o%17)cc%15)(c%15ccc(-c%17nnc(-c%18ccc(C(C)(C)C)cc%18)o%17)cc%15)c%15cc(C)ccc%15-%16)ccc%13-%14)c%13nsnc%12%13)ccc%10-%11)s9)c9nsnc89)s7)ccc5-6)cc43)cc2)cc1
InChIInChI=1S/C196H168N10O2S4/c1-21-25-29-119-35-73-143(74-36-119)205(144-75-37-120(38-76-144)30-26-22-2)147-81-69-141(70-82-147)196(142-71-83-148(84-72-142)206(145-77-39-121(40-78-145)31-27-23-3)146-79-41-122(42-80-146)32-28-24-4)175-111-131(127-51-87-152-151-85-33-117(5)105-165(151)191(13,14)166(152)107-127)55-91-161(175)162-92-56-132(112-176(162)196)129-53-89-154-157-95-59-135(115-171(157)193(17,18)168(154)109-129)177-101-103-179(209-177)163-99-100-164(184-183(163)203-212-204-184)180-104-102-178(210-180)136-60-96-158-156-94-58-134(114-170(156)194(19,20)172(158)116-136)150-98-97-149(181-182(150)202-211-201-181)133-57-93-155-153-88-52-128(108-167(153)192(15,16)169(155)113-133)130-54-90-160-159-86-34-118(6)106-173(159)195(174(160)110-130,139-65-47-125(48-66-139)187-199-197-185(207-187)123-43-61-137(62-44-123)189(7,8)9)140-67-49-126(50-68-140)188-200-198-186(208-188)124-45-63-138(64-46-124)190(10,11)12/h33-116H,21-32H2,1-20H3
InChIKeyZSZFBTNRPMVNEN-UHFFFAOYSA-N
XLogP53.73
TPSA135.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002823.84
LogP ≤ 553.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline?
The IUPAC name of N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline (CID 118857968) is N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline?
The canonical SMILES for N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline is CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(C3(c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)ccc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(c%15ccc(-c%17nnc(-c%18ccc(C(C)(C)C)cc%18)o%17)cc%15)(c%15ccc(-c%17nnc(-c%18ccc(C(C)(C)C)cc%18)o%17)cc%15)c%15cc(C)ccc%15-%16)ccc%13-%14)c%13nsnc%12%13)ccc%10-%11)s9)c9nsnc89)s7)ccc5-6)cc43)cc2)cc1.
What is the InChIKey of N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline?
The InChIKey is ZSZFBTNRPMVNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C196H168N10O2S4/c1-21-25-29-119-35-73-143(74-36-119)205(144-75-37-120(38-76-144)30-26-22-2)147-81-69-141(70-82-147)196(142-71-83-148(84-72-142)206(145-77-39-121(40-78-145)31-27-23-3)146-79-41-122(42-80-146)32-28-24-4)175-111-131(127-51-87-152-151-85-33-117(5)105-165(151)191(13,14)166(152)107-127)55-91-161(175)162-92-56-132(112-176(162)196)129-53-89-154-157-95-59-135(115-171(157)193(17,18)168(154)109-129)177-101-103-179(209-177)163-99-100-164(184-183(163)203-212-204-184)180-104-102-178(210-180)136-60-96-158-156-94-58-134(114-170(156)194(19,20)172(158)116-136)150-98-97-149(181-182(150)202-211-201-181)133-57-93-155-153-88-52-128(108-167(153)192(15,16)169(155)113-133)130-54-90-160-159-86-34-118(6)106-173(159)195(174(160)110-130,139-65-47-125(48-66-139)187-199-197-185(207-187)123-43-61-137(62-44-123)189(7,8)9)140-67-49-126(50-68-140)188-200-198-186(208-188)124-45-63-138(64-46-124)190(10,11)12/h33-116H,21-32H2,1-20H3.
What are the key properties of N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline?
N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline has a molecular weight of 2823.84 g/mol, XLogP of 53.73, 35 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[7-[5-[4-[5-[7-[7-[7-[9,9-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-7-methylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,1,3-benzothiadiazol-4-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]-9-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-7-(7,9,9-trimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-butyl-N-(4-butylphenyl)aniline is sourced from PubChem (CID 118857968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).