N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine

C56H56N2 — CID 144734094

IUPACN-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
SMILESCC1C2CCC=CC1C(C)(C)c1cc(N(c3ccccc3)c3ccc(-c4ccc(N(C5=CCCC=C5)c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)cc4)cc3)ccc12
InChIInChI=1S/C56H56N2/c1-38-47-20-12-14-22-51(38)55(2,3)53-36-45(32-34-49(47)53)57(41-16-8-6-9-17-41)43-28-24-39(25-29-43)40-26-30-44(31-27-40)58(42-18-10-7-11-19-42)46-33-35-50-48-21-13-15-23-52(48)56(4,5)54(50)37-46/h6,8-10,14-19,22-38,47,51H,7,11-13,20-21H2,1-5H3
InChIKeyGFLZLKJIRNRZEE-UHFFFAOYSA-N
MW757.08 g/mol
LogP15.57
Rot. Bonds7

About N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine

N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine (PubChem CID 144734094) has the molecular formula C56H56N2 and a molecular weight of 757.08 g/mol. Its IUPAC name is N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine.

Molecular Properties

Compound NameN-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
PubChem CID144734094
Molecular FormulaC56H56N2
Molecular Weight757.08 g/mol
Exact Mass756.44
IUPAC NameN-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
SMILESCC1C2CCC=CC1C(C)(C)c1cc(N(c3ccccc3)c3ccc(-c4ccc(N(C5=CCCC=C5)c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)cc4)cc3)ccc12
InChIInChI=1S/C56H56N2/c1-38-47-20-12-14-22-51(38)55(2,3)53-36-45(32-34-49(47)53)57(41-16-8-6-9-17-41)43-28-24-39(25-29-43)40-26-30-44(31-27-40)58(42-18-10-7-11-19-42)46-33-35-50-48-21-13-15-23-52(48)56(4,5)54(50)37-46/h6,8-10,14-19,22-38,47,51H,7,11-13,20-21H2,1-5H3
InChIKeyGFLZLKJIRNRZEE-UHFFFAOYSA-N
XLogP15.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.08
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine with MolForge

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Related Compounds

7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
CID 89067073
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
CID 134321233
2-N,6-N-bis(4-tert-butylphenyl)-9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89178676
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N,7-N-triphenyl-9a,10-dihydro-4aH-acridine-2,7-diamine
CID 156533410
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 170445127
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine;ethane
CID 142406196

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine?
The IUPAC name of N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine (CID 144734094) is N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine.
What is the SMILES notation for N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine?
The canonical SMILES for N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine is CC1C2CCC=CC1C(C)(C)c1cc(N(c3ccccc3)c3ccc(-c4ccc(N(C5=CCCC=C5)c5ccc6c(c5)C(C)(C)C5=C6CCC=C5)cc4)cc3)ccc12.
What is the InChIKey of N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine?
The InChIKey is GFLZLKJIRNRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N2/c1-38-47-20-12-14-22-51(38)55(2,3)53-36-45(32-34-49(47)53)57(41-16-8-6-9-17-41)43-28-24-39(25-29-43)40-26-30-44(31-27-40)58(42-18-10-7-11-19-42)46-33-35-50-48-21-13-15-23-52(48)56(4,5)54(50)37-46/h6,8-10,14-19,22-38,47,51H,7,11-13,20-21H2,1-5H3.
What are the key properties of N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine?
N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine has a molecular weight of 757.08 g/mol, XLogP of 15.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine is sourced from PubChem (CID 144734094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).