5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine

C55H44N2 — CID 134442738

IUPAC5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc1ccccc1c2N(c1ccccc1)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C55H44N2/c1-55(2)51-38-48(56(44-22-11-5-12-23-44)46-31-27-41(28-32-46)39-17-7-3-8-18-39)35-36-50(51)53-52(55)37-43-21-15-16-26-49(43)54(53)57(45-24-13-6-14-25-45)47-33-29-42(30-34-47)40-19-9-4-10-20-40/h3,5-9,11-38H,4,10H2,1-2H3
InChIKeyDAKKTEUYMFCBAX-UHFFFAOYSA-N
MW732.97 g/mol
LogP15.49
Rot. Bonds8

About 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine

5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine (PubChem CID 134442738) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
PubChem CID134442738
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC Name5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc1ccccc1c2N(c1ccccc1)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C55H44N2/c1-55(2)51-38-48(56(44-22-11-5-12-23-44)46-31-27-41(28-32-46)39-17-7-3-8-18-39)35-36-50(51)53-52(55)37-43-21-15-16-26-49(43)54(53)57(45-24-13-6-14-25-45)47-33-29-42(30-34-47)40-19-9-4-10-20-40/h3,5-9,11-38H,4,10H2,1-2H3
InChIKeyDAKKTEUYMFCBAX-UHFFFAOYSA-N
XLogP15.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine with MolForge

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Related Compounds

5-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 138601404
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
2-N,5-N-diphenyl-2-N,5-N-bis(4-phenylphenyl)spiro[benzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
CID 138601412
3-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 161038802
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
CID 123612637
7,7-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-N,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine;7,7-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-N,5-N,9-N,9-N-tetraphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine;3-tert-butyl-7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine;5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-7,7-diphenyl-5-N,9-N,9-N-tris(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine;7,7-dimethyl-5-N,9-N-diphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine;7,7-dimethyl-5-N,5-N,9-N,9-N-tetraphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine;5-N,5-N,9-N,9-N,7,7-hexakis-phenylfluoreno[4,3-b][1]benzofuran-5,9-diamine;5-N,9-N,7,7-tetraphenyl-5-N,9-N-bis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 159375722
5-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167252538
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
The IUPAC name of 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine (CID 134442738) is 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine.
What is the SMILES notation for 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
The canonical SMILES for 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc1ccccc1c2N(c1ccccc1)c1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
The InChIKey is DAKKTEUYMFCBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-55(2)51-38-48(56(44-22-11-5-12-23-44)46-31-27-41(28-32-46)39-17-7-3-8-18-39)35-36-50(51)53-52(55)37-43-21-15-16-26-49(43)54(53)57(45-24-13-6-14-25-45)47-33-29-42(30-34-47)40-19-9-4-10-20-40/h3,5-9,11-38H,4,10H2,1-2H3.
What are the key properties of 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine?
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine has a molecular weight of 732.97 g/mol, XLogP of 15.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine is sourced from PubChem (CID 134442738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).