7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

C150H172N2 — CID 126630042

IUPAC7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(C(C)CC)ccc7-8)cc6)ccc4-5)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccc5c(c3)CC5)(c3ccc5c(c3)CC5)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C150H172N2/c1-9-16-22-28-34-49-93-147(94-50-35-29-23-17-10-2)139-101-115(109(8)15-7)71-85-131(139)132-86-72-118(102-140(132)147)113-67-79-127(80-68-113)151(125-57-45-41-46-58-125)129-83-91-135-136-92-84-130(108-144(136)149(143(135)107-129,97-53-38-32-26-20-13-5)98-54-39-33-27-21-14-6)152(126-59-47-42-48-60-126)128-81-69-114(70-82-128)119-73-87-133-134-88-75-121(104-142(134)148(141(133)103-119,95-51-36-30-24-18-11-3)96-52-37-31-25-19-12-4)122-76-90-138-137-89-74-120(110-55-43-40-44-56-110)105-145(137)150(146(138)106-122,123-77-65-111-61-63-116(111)99-123)124-78-66-112-62-64-117(112)100-124/h40-48,55-60,65-92,99-109H,9-39,49-54,61-64,93-98H2,1-8H3
InChIKeyIAZTXJWUWNCGKL-UHFFFAOYSA-N
MW2003.04 g/mol
LogP44.67
Rot. Bonds56

About 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 126630042) has the molecular formula C150H172N2 and a molecular weight of 2003.04 g/mol. Its IUPAC name is 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID126630042
Molecular FormulaC150H172N2
Molecular Weight2003.04 g/mol
Exact Mass2001.35
IUPAC Name7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(C(C)CC)ccc7-8)cc6)ccc4-5)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccc5c(c3)CC5)(c3ccc5c(c3)CC5)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C150H172N2/c1-9-16-22-28-34-49-93-147(94-50-35-29-23-17-10-2)139-101-115(109(8)15-7)71-85-131(139)132-86-72-118(102-140(132)147)113-67-79-127(80-68-113)151(125-57-45-41-46-58-125)129-83-91-135-136-92-84-130(108-144(136)149(143(135)107-129,97-53-38-32-26-20-13-5)98-54-39-33-27-21-14-6)152(126-59-47-42-48-60-126)128-81-69-114(70-82-128)119-73-87-133-134-88-75-121(104-142(134)148(141(133)103-119,95-51-36-30-24-18-11-3)96-52-37-31-25-19-12-4)122-76-90-138-137-89-74-120(110-55-43-40-44-56-110)105-145(137)150(146(138)106-122,123-77-65-111-61-63-116(111)99-123)124-78-66-112-62-64-117(112)100-124/h40-48,55-60,65-92,99-109H,9-39,49-54,61-64,93-98H2,1-8H3
InChIKeyIAZTXJWUWNCGKL-UHFFFAOYSA-N
XLogP44.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds56
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002003.04
LogP ≤ 544.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine with MolForge

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Related Compounds

2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-butan-2-ylfluoren-2-yl]phenyl]-7-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630030
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
CID 58389511
CID 159774241
CID 159774241
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline;N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 157390320
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(7-ethenyl-9,9-dioctylfluoren-2-yl)-7-phenylfluorene
CID 140775699
7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
N-[4-[7-[9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[4-[4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(3-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
CID 58281924
N-[4-[4-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 153294016
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
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487

Frequently Asked Questions

What is the IUPAC name of 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 126630042) is 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(C(C)CC)ccc7-8)cc6)ccc4-5)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(c3ccc5c(c3)CC5)(c3ccc5c(c3)CC5)c3cc(-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is IAZTXJWUWNCGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H172N2/c1-9-16-22-28-34-49-93-147(94-50-35-29-23-17-10-2)139-101-115(109(8)15-7)71-85-131(139)132-86-72-118(102-140(132)147)113-67-79-127(80-68-113)151(125-57-45-41-46-58-125)129-83-91-135-136-92-84-130(108-144(136)149(143(135)107-129,97-53-38-32-26-20-13-5)98-54-39-33-27-21-14-6)152(126-59-47-42-48-60-126)128-81-69-114(70-82-128)119-73-87-133-134-88-75-121(104-142(134)148(141(133)103-119,95-51-36-30-24-18-11-3)96-52-37-31-25-19-12-4)122-76-90-138-137-89-74-120(110-55-43-40-44-56-110)105-145(137)150(146(138)106-122,123-77-65-111-61-63-116(111)99-123)124-78-66-112-62-64-117(112)100-124/h40-48,55-60,65-92,99-109H,9-39,49-54,61-64,93-98H2,1-8H3.
What are the key properties of 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 2003.04 g/mol, XLogP of 44.67, 56 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 126630042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).