1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine

C109H100N2 — CID 89274071

IUPAC1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine
SMILESC=C/C=C\CCCC1(c2ccc(C)cc2)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(c7cccc(C)c7)(c7cccc(C)c7)c7cc(C)ccc7-8)ccc5-6)cc4)c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)cc3)cc21
InChIInChI=1S/C109H100N2/c1-11-14-17-18-19-64-108(86-44-28-73(4)29-45-86)103-67-76(7)30-58-97(103)98-62-41-83(71-104(98)108)81-38-52-92(53-39-81)111(94-56-54-93(55-57-94)110(89-46-32-78(33-47-89)24-15-12-2)90-48-34-79(35-49-90)25-16-13-3)91-50-36-80(37-51-91)82-40-60-95-96-61-42-84(70-102(96)107(9,10)101(95)69-82)85-43-63-100-99-59-31-77(8)68-105(99)109(106(100)72-85,87-26-20-22-74(5)65-87)88-27-21-23-75(6)66-88/h11,14,17,20-23,26-63,65-72H,1,12-13,15-16,18-19,24-25,64H2,2-10H3/b17-14-
InChIKeyKYJXHQCELUKQKU-VKAVYKQESA-N
MW1438.01 g/mol
LogP29.75
Rot. Bonds23

About 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine

1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine (PubChem CID 89274071) has the molecular formula C109H100N2 and a molecular weight of 1438.01 g/mol. Its IUPAC name is 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine
PubChem CID89274071
Molecular FormulaC109H100N2
Molecular Weight1438.01 g/mol
Exact Mass1436.79
IUPAC Name1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine
SMILESC=C/C=C\CCCC1(c2ccc(C)cc2)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(c7cccc(C)c7)(c7cccc(C)c7)c7cc(C)ccc7-8)ccc5-6)cc4)c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)cc3)cc21
InChIInChI=1S/C109H100N2/c1-11-14-17-18-19-64-108(86-44-28-73(4)29-45-86)103-67-76(7)30-58-97(103)98-62-41-83(71-104(98)108)81-38-52-92(53-39-81)111(94-56-54-93(55-57-94)110(89-46-32-78(33-47-89)24-15-12-2)90-48-34-79(35-49-90)25-16-13-3)91-50-36-80(37-51-91)82-40-60-95-96-61-42-84(70-102(96)107(9,10)101(95)69-82)85-43-63-100-99-59-31-77(8)68-105(99)109(106(100)72-85,87-26-20-22-74(5)65-87)88-27-21-23-75(6)66-88/h11,14,17,20-23,26-63,65-72H,1,12-13,15-16,18-19,24-25,64H2,2-10H3/b17-14-
InChIKeyKYJXHQCELUKQKU-VKAVYKQESA-N
XLogP29.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001438.01
LogP ≤ 529.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
CID 59480577
4-N-[4-[2,5-bis[(4E)-hepta-4,6-dienoxy]-4-methylphenyl]phenyl]-1-N,1-N-bis(4-butylphenyl)-4-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]benzene-1,4-diamine
CID 58282085
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;2,7,9,9-tetramethylfluorene
CID 160577625
2,7-dimethyl-9-[3-[(5E)-octa-5,7-dienyl]phenyl]-9-[3-[(2E)-penta-2,4-dienyl]phenyl]fluorene
CID 123493636
1-N,4-N-bis(4-butylphenyl)-1-N-[4-(2',3',6',7,7'-pentamethyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-4-N-[4-[2,3,6,7-tetramethyl-7'-(9-methyl-11,11,12,12-tetraoctylindeno[2,1-a]fluoren-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]benzene-1,4-diamine
CID 58668861
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
4-[4-(4-butyl-N-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]anilino)phenyl]benzaldehyde;4-(7-methyl-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 91409805
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine (CID 89274071) is 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine is C=C/C=C\CCCC1(c2ccc(C)cc2)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(c7cccc(C)c7)(c7cccc(C)c7)c7cc(C)ccc7-8)ccc5-6)cc4)c4ccc(N(c5ccc(CCCC)cc5)c5ccc(CCCC)cc5)cc4)cc3)cc21.
What is the InChIKey of 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine?
The InChIKey is KYJXHQCELUKQKU-VKAVYKQESA-N. The full InChI is InChI=1S/C109H100N2/c1-11-14-17-18-19-64-108(86-44-28-73(4)29-45-86)103-67-76(7)30-58-97(103)98-62-41-83(71-104(98)108)81-38-52-92(53-39-81)111(94-56-54-93(55-57-94)110(89-46-32-78(33-47-89)24-15-12-2)90-48-34-79(35-49-90)25-16-13-3)91-50-36-80(37-51-91)82-40-60-95-96-61-42-84(70-102(96)107(9,10)101(95)69-82)85-43-63-100-99-59-31-77(8)68-105(99)109(106(100)72-85,87-26-20-22-74(5)65-87)88-27-21-23-75(6)66-88/h11,14,17,20-23,26-63,65-72H,1,12-13,15-16,18-19,24-25,64H2,2-10H3/b17-14-.
What are the key properties of 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine?
1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine has a molecular weight of 1438.01 g/mol, XLogP of 29.75, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(4-butylphenyl)-4-N-[4-[9,9-dimethyl-7-[7-methyl-9,9-bis(3-methylphenyl)fluoren-2-yl]fluoren-2-yl]phenyl]-4-N-[4-[9-[(4Z)-hepta-4,6-dienyl]-7-methyl-9-(4-methylphenyl)fluoren-2-yl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 89274071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).