6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine

C90H120N2 — CID 154982044

IUPAC6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)CC4(C)C)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc4c(c2)C(C)(C)CC4(C)C)cc1C3(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C90H120N2/c1-13-17-21-25-29-39-55-89(56-40-30-26-22-18-14-2)79-59-69(91(67-43-35-33-36-44-67)71-49-53-77-83(61-71)87(9,10)65-85(77,5)6)47-51-73(79)75-64-82-76(63-81(75)89)74-52-48-70(60-80(74)90(82,57-41-31-27-23-19-15-3)58-42-32-28-24-20-16-4)92(68-45-37-34-38-46-68)72-50-54-78-84(62-72)88(11,12)66-86(78,7)8/h33-38,43-54,59-64H,13-32,39-42,55-58,65-66H2,1-12H3
InChIKeyDZZKZZASZZOOTO-UHFFFAOYSA-N
MW1229.96 g/mol
LogP28.08
Rot. Bonds34

About 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine

6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 154982044) has the molecular formula C90H120N2 and a molecular weight of 1229.96 g/mol. Its IUPAC name is 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine
PubChem CID154982044
Molecular FormulaC90H120N2
Molecular Weight1229.96 g/mol
Exact Mass1228.95
IUPAC Name6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)CC4(C)C)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc4c(c2)C(C)(C)CC4(C)C)cc1C3(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C90H120N2/c1-13-17-21-25-29-39-55-89(56-40-30-26-22-18-14-2)79-59-69(91(67-43-35-33-36-44-67)71-49-53-77-83(61-71)87(9,10)65-85(77,5)6)47-51-73(79)75-64-82-76(63-81(75)89)74-52-48-70(60-80(74)90(82,57-41-31-27-23-19-15-3)58-42-32-28-24-20-16-4)92(68-45-37-34-38-46-68)72-50-54-78-84(62-72)88(11,12)66-86(78,7)8/h33-38,43-54,59-64H,13-32,39-42,55-58,65-66H2,1-12H3
InChIKeyDZZKZZASZZOOTO-UHFFFAOYSA-N
XLogP28.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.96
LogP ≤ 528.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine with MolForge

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Related Compounds

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
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
[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
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
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
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
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
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine (CID 154982044) is 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)CC4(C)C)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccc4c(c2)C(C)(C)CC4(C)C)cc1C3(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is DZZKZZASZZOOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H120N2/c1-13-17-21-25-29-39-55-89(56-40-30-26-22-18-14-2)79-59-69(91(67-43-35-33-36-44-67)71-49-53-77-83(61-71)87(9,10)65-85(77,5)6)47-51-73(79)75-64-82-76(63-81(75)89)74-52-48-70(60-80(74)90(82,57-41-31-27-23-19-15-3)58-42-32-28-24-20-16-4)92(68-45-37-34-38-46-68)72-50-54-78-84(62-72)88(11,12)66-86(78,7)8/h33-38,43-54,59-64H,13-32,39-42,55-58,65-66H2,1-12H3.
What are the key properties of 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine?
6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 1229.96 g/mol, XLogP of 28.08, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 154982044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).