N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline

C74H72N2 — CID 134419128

IUPACN,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline
SMILESCCCC1(CCC)C2=C(C=CC(C3=CCC(N(c4ccccc4)c4ccccc4)C=C3)C2)c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc21
InChIInChI=1S/C74H72N2/c1-5-45-73(46-6-2)69-49-55(53-29-37-63(38-30-53)75(59-21-13-9-14-22-59)60-23-15-10-16-24-60)33-41-65(69)67-43-35-57(51-71(67)73)58-36-44-68-66-42-34-56(50-70(66)74(47-7-3,48-8-4)72(68)52-58)54-31-39-64(40-32-54)76(61-25-17-11-18-26-61)62-27-19-12-20-28-62/h9-39,41-44,49,51-52,56,64H,5-8,40,45-48,50H2,1-4H3
InChIKeyWXHZBLYRUCUKPM-UHFFFAOYSA-N
MW989.40 g/mol
LogP20.63
Rot. Bonds17

About N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline

N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline (PubChem CID 134419128) has the molecular formula C74H72N2 and a molecular weight of 989.40 g/mol. Its IUPAC name is N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline
PubChem CID134419128
Molecular FormulaC74H72N2
Molecular Weight989.40 g/mol
Exact Mass988.57
IUPAC NameN,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline
SMILESCCCC1(CCC)C2=C(C=CC(C3=CCC(N(c4ccccc4)c4ccccc4)C=C3)C2)c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc21
InChIInChI=1S/C74H72N2/c1-5-45-73(46-6-2)69-49-55(53-29-37-63(38-30-53)75(59-21-13-9-14-22-59)60-23-15-10-16-24-60)33-41-65(69)67-43-35-57(51-71(67)73)58-36-44-68-66-42-34-56(50-70(66)74(47-7-3,48-8-4)72(68)52-58)54-31-39-64(40-32-54)76(61-25-17-11-18-26-61)62-27-19-12-20-28-62/h9-39,41-44,49,51-52,56,64H,5-8,40,45-48,50H2,1-4H3
InChIKeyWXHZBLYRUCUKPM-UHFFFAOYSA-N
XLogP20.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.40
LogP ≤ 520.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
CID 170242116
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-9,9-dimethyl-7-(3-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 138714538
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
CID 143286493
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-phenyl-9,9-dipropylfluorene
CID 154114384
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
9-[4-(ethylamino)phenyl]-9-(4-methylphenyl)-7-phenyl-N,N-bis(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 123878290
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9-(4-methylphenyl)-7,9-diphenyl-N,N-bis(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 90277846
4-N-[4-[4-[4-(N-(4-aminocyclohexa-2,4-dien-1-yl)anilino)phenyl]phenyl]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 143113021
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 88941579

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline (CID 134419128) is N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline is CCCC1(CCC)C2=C(C=CC(C3=CCC(N(c4ccccc4)c4ccccc4)C=C3)C2)c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)cc21.
What is the InChIKey of N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline?
The InChIKey is WXHZBLYRUCUKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72N2/c1-5-45-73(46-6-2)69-49-55(53-29-37-63(38-30-53)75(59-21-13-9-14-22-59)60-23-15-10-16-24-60)33-41-65(69)67-43-35-57(51-71(67)73)58-36-44-68-66-42-34-56(50-70(66)74(47-7-3,48-8-4)72(68)52-58)54-31-39-64(40-32-54)76(61-25-17-11-18-26-61)62-27-19-12-20-28-62/h9-39,41-44,49,51-52,56,64H,5-8,40,45-48,50H2,1-4H3.
What are the key properties of N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline?
N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline has a molecular weight of 989.40 g/mol, XLogP of 20.63, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[7-[7-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-9,9-dipropyl-7,8-dihydrofluoren-2-yl]-9,9-dipropylfluoren-2-yl]aniline is sourced from PubChem (CID 134419128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).