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

C89H96N2 — CID 129302630

IUPAC7-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
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C(C)CC)ccc7-8)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C89H96N2/c1-11-14-16-18-20-24-54-89(55-25-21-19-17-15-12-2)81-27-23-22-26-75(81)80-51-38-68(58-86(80)89)65-34-45-72(46-35-65)91(70-41-30-62(5)31-42-70)74-48-53-79-78-52-47-73(59-84(78)88(9,10)85(79)60-74)90(69-39-28-61(4)29-40-69)71-43-32-64(33-44-71)67-37-50-77-76-49-36-66(63(6)13-3)56-82(76)87(7,8)83(77)57-67/h22-23,26-53,56-60,63H,11-21,24-25,54-55H2,1-10H3
InChIKeyMKUJPFGFZOLFEY-UHFFFAOYSA-N
MW1193.76 g/mol
LogP26.47
Rot. Bonds24

About 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

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 (PubChem CID 129302630) has the molecular formula C89H96N2 and a molecular weight of 1193.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID129302630
Molecular FormulaC89H96N2
Molecular Weight1193.76 g/mol
Exact Mass1192.76
IUPAC Name7-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
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C(C)CC)ccc7-8)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C89H96N2/c1-11-14-16-18-20-24-54-89(55-25-21-19-17-15-12-2)81-27-23-22-26-75(81)80-51-38-68(58-86(80)89)65-34-45-72(46-35-65)91(70-41-30-62(5)31-42-70)74-48-53-79-78-52-47-73(59-84(78)88(9,10)85(79)60-74)90(69-39-28-61(4)29-40-69)71-43-32-64(33-44-71)67-37-50-77-76-49-36-66(63(6)13-3)56-82(76)87(7,8)83(77)57-67/h22-23,26-53,56-60,63H,11-21,24-25,54-55H2,1-10H3
InChIKeyMKUJPFGFZOLFEY-UHFFFAOYSA-N
XLogP26.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.76
LogP ≤ 526.47
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-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 with MolForge

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Related Compounds

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
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine
CID 157068052
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
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-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
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
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
CID 88559551
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(C)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(C(C)CC)ccc7-8)cc6)ccc4-5)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is MKUJPFGFZOLFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H96N2/c1-11-14-16-18-20-24-54-89(55-25-21-19-17-15-12-2)81-27-23-22-26-75(81)80-51-38-68(58-86(80)89)65-34-45-72(46-35-65)91(70-41-30-62(5)31-42-70)74-48-53-79-78-52-47-73(59-84(78)88(9,10)85(79)60-74)90(69-39-28-61(4)29-40-69)71-43-32-64(33-44-71)67-37-50-77-76-49-36-66(63(6)13-3)56-82(76)87(7,8)83(77)57-67/h22-23,26-53,56-60,63H,11-21,24-25,54-55H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 1193.76 g/mol, XLogP of 26.47, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129302630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).