N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C57H52N2 — CID 89356008

IUPACN-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCCC(C4=CC=C(c5ccc(C6=CC(N(C7=CC=CCC7)c7ccccc7)=CCC6)cc5)CC4)=C3)c3ccccc3)cc21
InChIInChI=1S/C57H52N2/c1-57(2)55-27-13-12-26-53(55)54-37-36-52(40-56(54)57)59(49-22-10-5-11-23-49)51-25-15-17-46(39-51)44-34-30-42(31-35-44)41-28-32-43(33-29-41)45-16-14-24-50(38-45)58(47-18-6-3-7-19-47)48-20-8-4-9-21-48/h3-8,10-13,18-20,22-30,32-34,36-40H,9,14-17,21,31,35H2,1-2H3
InChIKeyPOWHNFXJSDGVKN-UHFFFAOYSA-N
MW765.06 g/mol
LogP15.34
Rot. Bonds9

About N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 89356008) has the molecular formula C57H52N2 and a molecular weight of 765.06 g/mol. Its IUPAC name is N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID89356008
Molecular FormulaC57H52N2
Molecular Weight765.06 g/mol
Exact Mass764.41
IUPAC NameN-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CCCC(C4=CC=C(c5ccc(C6=CC(N(C7=CC=CCC7)c7ccccc7)=CCC6)cc5)CC4)=C3)c3ccccc3)cc21
InChIInChI=1S/C57H52N2/c1-57(2)55-27-13-12-26-53(55)54-37-36-52(40-56(54)57)59(49-22-10-5-11-23-49)51-25-15-17-46(39-51)44-34-30-42(31-35-44)41-28-32-43(33-29-41)45-16-14-24-50(38-45)58(47-18-6-3-7-19-47)48-20-8-4-9-21-48/h3-8,10-13,18-20,22-30,32-34,36-40H,9,14-17,21,31,35H2,1-2H3
InChIKeyPOWHNFXJSDGVKN-UHFFFAOYSA-N
XLogP15.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.06
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

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Related Compounds

7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
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-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)benzene-1,3-diamine
CID 129311142
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
N-cyclohexa-1,3-dien-1-yl-7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89049784
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 89356008) is N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CCCC(C4=CC=C(c5ccc(C6=CC(N(C7=CC=CCC7)c7ccccc7)=CCC6)cc5)CC4)=C3)c3ccccc3)cc21.
What is the InChIKey of N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is POWHNFXJSDGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N2/c1-57(2)55-27-13-12-26-53(55)54-37-36-52(40-56(54)57)59(49-22-10-5-11-23-49)51-25-15-17-46(39-51)44-34-30-42(31-35-44)41-28-32-43(33-29-41)45-16-14-24-50(38-45)58(47-18-6-3-7-19-47)48-20-8-4-9-21-48/h3-8,10-13,18-20,22-30,32-34,36-40H,9,14-17,21,31,35H2,1-2H3.
What are the key properties of N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 765.06 g/mol, XLogP of 15.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 89356008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).