N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline

C75H72N2O — CID 58250992

IUPACN-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(c5ccc(OCCC(C)CCCC(C)C)cc5)(c5cc(C)ccc5C)c5cc(C)ccc5-6)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H72N2O/c1-52(2)15-14-16-53(3)47-48-78-69-43-33-62(34-44-69)75(72-49-55(5)21-25-57(72)7)73-50-56(6)24-45-70(73)71-46-32-61(51-74(71)75)60-30-41-68(42-31-60)77(64-19-12-9-13-20-64)67-39-28-59(29-40-67)58-26-37-66(38-27-58)76(63-17-10-8-11-18-63)65-35-22-54(4)23-36-65/h8-13,17-46,49-53H,14-16,47-48H2,1-7H3
InChIKeyRTRUTWNACDTPDR-UHFFFAOYSA-N
MW1017.41 g/mol
LogP20.79
Rot. Bonds18

About N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline

N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline (PubChem CID 58250992) has the molecular formula C75H72N2O and a molecular weight of 1017.41 g/mol. Its IUPAC name is N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
PubChem CID58250992
Molecular FormulaC75H72N2O
Molecular Weight1017.41 g/mol
Exact Mass1016.56
IUPAC NameN-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(c5ccc(OCCC(C)CCCC(C)C)cc5)(c5cc(C)ccc5C)c5cc(C)ccc5-6)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H72N2O/c1-52(2)15-14-16-53(3)47-48-78-69-43-33-62(34-44-69)75(72-49-55(5)21-25-57(72)7)73-50-56(6)24-45-70(73)71-46-32-61(51-74(71)75)60-30-41-68(42-31-60)77(64-19-12-9-13-20-64)67-39-28-59(29-40-67)58-26-37-66(38-27-58)76(63-17-10-8-11-18-63)65-35-22-54(4)23-36-65/h8-13,17-46,49-53H,14-16,47-48H2,1-7H3
InChIKeyRTRUTWNACDTPDR-UHFFFAOYSA-N
XLogP20.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.41
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-phenylfluoren-2-amine;9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 160550559
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
4-[3,6-bis(3,7-dimethyloctoxy)-9,9'-spirobi[fluorene]-2-yl]-N-[4-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]phenyl]-N-phenylaniline
CID 101455783
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-naphthalen-2-ylfluoren-2-yl]anilino)phenyl]phenyl]-9-naphthalen-2-yl-N-phenylfluoren-2-amine;9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine;9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-amine;N,9-diphenyl-N-[4-[4-(N-[9-phenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 159400682
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 146516509
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-[4-[4-(N-[7,9-diphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N,7,9-triphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[9-phenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 159808152
9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 166648049
9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine
CID 167019664
1-[4-[4-[(3S)-3,7-dimethyloctoxy]phenyl]phenyl]-9,9-dipropylfluorene
CID 162767507

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline (CID 58250992) is N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(c5ccc(OCCC(C)CCCC(C)C)cc5)(c5cc(C)ccc5C)c5cc(C)ccc5-6)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?
The InChIKey is RTRUTWNACDTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H72N2O/c1-52(2)15-14-16-53(3)47-48-78-69-43-33-62(34-44-69)75(72-49-55(5)21-25-57(72)7)73-50-56(6)24-45-70(73)71-46-32-61(51-74(71)75)60-30-41-68(42-31-60)77(64-19-12-9-13-20-64)67-39-28-59(29-40-67)58-26-37-66(38-27-58)76(63-17-10-8-11-18-63)65-35-22-54(4)23-36-65/h8-13,17-46,49-53H,14-16,47-48H2,1-7H3.
What are the key properties of N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline?
N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline has a molecular weight of 1017.41 g/mol, XLogP of 20.79, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 58250992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).