N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine

C55H42N2 — CID 137469184

IUPACN-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine
SMILESC1=CCCC(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3)=C1
InChIInChI=1S/C55H42N2/c1-4-12-40(13-5-1)42-20-29-49(30-21-42)56(50-31-22-43(23-32-50)41-14-6-2-7-15-41)51-33-24-44(25-34-51)45-26-35-52(36-27-45)57(48-17-8-3-9-18-48)53-37-28-47-38-46-16-10-11-19-54(46)55(47)39-53/h1-8,10-17,19-37,39H,9,18,38H2
InChIKeyURTWULJCXSRANA-UHFFFAOYSA-N
MW730.96 g/mol
LogP15.10
Rot. Bonds9

About N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine

N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine (PubChem CID 137469184) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine
PubChem CID137469184
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine
SMILESC1=CCCC(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3)=C1
InChIInChI=1S/C55H42N2/c1-4-12-40(13-5-1)42-20-29-49(30-21-42)56(50-31-22-43(23-32-50)41-14-6-2-7-15-41)51-33-24-44(25-34-51)45-26-35-52(36-27-45)57(48-17-8-3-9-18-48)53-37-28-47-38-46-16-10-11-19-54(46)55(47)39-53/h1-8,10-17,19-37,39H,9,18,38H2
InChIKeyURTWULJCXSRANA-UHFFFAOYSA-N
XLogP15.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
N-cyclohexa-1,3-dien-1-yl-4-methyl-3-[3-[2-methyl-5-(N-phenylanilino)phenyl]-2-phenylphenyl]-N-phenylaniline
CID 144565283
N-[4-(8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaen-4-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-(9H-fluoren-3-yl)aniline
CID 118187064
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-(9H-fluoren-3-yl)aniline
CID 118963221
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine (CID 137469184) is N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine is C1=CCCC(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)c2ccc3c(c2)-c2ccccc2C3)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine?
The InChIKey is URTWULJCXSRANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-4-12-40(13-5-1)42-20-29-49(30-21-42)56(50-31-22-43(23-32-50)41-14-6-2-7-15-41)51-33-24-44(25-34-51)45-26-35-52(36-27-45)57(48-17-8-3-9-18-48)53-37-28-47-38-46-16-10-11-19-54(46)55(47)39-53/h1-8,10-17,19-37,39H,9,18,38H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine?
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine has a molecular weight of 730.96 g/mol, XLogP of 15.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine is sourced from PubChem (CID 137469184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).