2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine

C200H232N8O — CID 57384197

IUPAC2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nnc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)ccc4-5)o3)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C200H232N8O/c1-13-25-37-73-125-195(126-74-38-26-14-2)181-137-149(101-113-169(181)171-119-107-163(143-183(171)195)207(165-109-121-177-173-115-103-159(203(151-85-57-49-58-86-151)152-87-59-50-60-88-152)139-185(173)197(189(177)145-165,129-77-41-29-17-5)130-78-42-30-18-6)166-110-122-178-174-116-104-160(204(153-89-61-51-62-90-153)154-91-63-52-64-92-154)140-186(174)198(190(178)146-166,131-79-43-31-19-7)132-80-44-32-20-8)193-201-202-194(209-193)150-102-114-170-172-120-108-164(144-184(172)196(182(170)138-150,127-75-39-27-15-3)128-76-40-28-16-4)208(167-111-123-179-175-117-105-161(205(155-93-65-53-66-94-155)156-95-67-54-68-96-156)141-187(175)199(191(179)147-167,133-81-45-33-21-9)134-82-46-34-22-10)168-112-124-180-176-118-106-162(206(157-97-69-55-70-98-157)158-99-71-56-72-100-158)142-188(176)200(192(180)148-168,135-83-47-35-23-11)136-84-48-36-24-12/h49-72,85-124,137-148H,13-48,73-84,125-136H2,1-12H3
InChIKeyOADPNUVYVLIGTG-UHFFFAOYSA-N
MW2764.11 g/mol
LogP61.47
Rot. Bonds80

About 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine

2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 57384197) has the molecular formula C200H232N8O and a molecular weight of 2764.11 g/mol. Its IUPAC name is 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID57384197
Molecular FormulaC200H232N8O
Molecular Weight2764.11 g/mol
Exact Mass2761.83
IUPAC Name2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCC1(CCCCCC)c2cc(-c3nnc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)ccc4-5)o3)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C200H232N8O/c1-13-25-37-73-125-195(126-74-38-26-14-2)181-137-149(101-113-169(181)171-119-107-163(143-183(171)195)207(165-109-121-177-173-115-103-159(203(151-85-57-49-58-86-151)152-87-59-50-60-88-152)139-185(173)197(189(177)145-165,129-77-41-29-17-5)130-78-42-30-18-6)166-110-122-178-174-116-104-160(204(153-89-61-51-62-90-153)154-91-63-52-64-92-154)140-186(174)198(190(178)146-166,131-79-43-31-19-7)132-80-44-32-20-8)193-201-202-194(209-193)150-102-114-170-172-120-108-164(144-184(172)196(182(170)138-150,127-75-39-27-15-3)128-76-40-28-16-4)208(167-111-123-179-175-117-105-161(205(155-93-65-53-66-94-155)156-95-67-54-68-96-156)141-187(175)199(191(179)147-167,133-81-45-33-21-9)134-82-46-34-22-10)168-112-124-180-176-118-106-162(206(157-97-69-55-70-98-157)158-99-71-56-72-100-158)142-188(176)200(192(180)148-168,135-83-47-35-23-11)136-84-48-36-24-12/h49-72,85-124,137-148H,13-48,73-84,125-136H2,1-12H3
InChIKeyOADPNUVYVLIGTG-UHFFFAOYSA-N
XLogP61.47
TPSA58.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds80
Heavy Atoms209
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002764.11
LogP ≤ 561.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine with MolForge

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Related Compounds

7-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9-dihexyl-N,N-diphenylfluoren-2-amine
CID 102597851
2-[4-[9,9-dihexyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101441891
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-[9,9-dihexyl-7-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)fluoren-2-yl]-5-naphthalen-1-yl-1,3,4-oxadiazole
CID 58755769
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 91666305
[9,9-dioctyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 86228244

Frequently Asked Questions

What is the IUPAC name of 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine (CID 57384197) is 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine is CCCCCCC1(CCCCCC)c2cc(-c3nnc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(N(c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)ccc4-5)o3)ccc2-c2ccc(N(c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is OADPNUVYVLIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C200H232N8O/c1-13-25-37-73-125-195(126-74-38-26-14-2)181-137-149(101-113-169(181)171-119-107-163(143-183(171)195)207(165-109-121-177-173-115-103-159(203(151-85-57-49-58-86-151)152-87-59-50-60-88-152)139-185(173)197(189(177)145-165,129-77-41-29-17-5)130-78-42-30-18-6)166-110-122-178-174-116-104-160(204(153-89-61-51-62-90-153)154-91-63-52-64-92-154)140-186(174)198(190(178)146-166,131-79-43-31-19-7)132-80-44-32-20-8)193-201-202-194(209-193)150-102-114-170-172-120-108-164(144-184(172)196(182(170)138-150,127-75-39-27-15-3)128-76-40-28-16-4)208(167-111-123-179-175-117-105-161(205(155-93-65-53-66-94-155)156-95-67-54-68-96-156)141-187(175)199(191(179)147-167,133-81-45-33-21-9)134-82-46-34-22-10)168-112-124-180-176-118-106-162(206(157-97-69-55-70-98-157)158-99-71-56-72-100-158)142-188(176)200(192(180)148-168,135-83-47-35-23-11)136-84-48-36-24-12/h49-72,85-124,137-148H,13-48,73-84,125-136H2,1-12H3.
What are the key properties of 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine?
2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 2764.11 g/mol, XLogP of 61.47, 80 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 57384197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).