N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine

C55H47N — CID 170297032

IUPACN-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CCC4)cc3)c3cccc4c3C(C)(C)c3cc5c(c(-c6ccccc6)c3-4)C3=C(C=CCC3)C5)cc21
InChIInChI=1S/C55H47N/c1-54(2)46-24-14-13-22-43(46)44-31-30-41(34-47(44)54)56(40-28-26-36(27-29-40)35-16-7-5-8-17-35)49-25-15-23-45-52-48(55(3,4)53(45)49)33-39-32-38-20-11-12-21-42(38)50(39)51(52)37-18-9-6-10-19-37/h5-7,9-11,13-16,18-20,22-31,33-34H,8,12,17,21,32H2,1-4H3
InChIKeyMILWZKNLJXNIGT-UHFFFAOYSA-N
MW721.99 g/mol
LogP14.83
Rot. Bonds5

About N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine (PubChem CID 170297032) has the molecular formula C55H47N and a molecular weight of 721.99 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine
PubChem CID170297032
Molecular FormulaC55H47N
Molecular Weight721.99 g/mol
Exact Mass721.37
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CCC4)cc3)c3cccc4c3C(C)(C)c3cc5c(c(-c6ccccc6)c3-4)C3=C(C=CCC3)C5)cc21
InChIInChI=1S/C55H47N/c1-54(2)46-24-14-13-22-43(46)44-31-30-41(34-47(44)54)56(40-28-26-36(27-29-40)35-16-7-5-8-17-35)49-25-15-23-45-52-48(55(3,4)53(45)49)33-39-32-38-20-11-12-21-42(38)50(39)51(52)37-18-9-6-10-19-37/h5-7,9-11,13-16,18-20,22-31,33-34H,8,12,17,21,32H2,1-4H3
InChIKeyMILWZKNLJXNIGT-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.99
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
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
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
7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 144768218
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
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
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,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
CID 174067151
CID 174067151
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine (CID 170297032) is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4=CC=CCC4)cc3)c3cccc4c3C(C)(C)c3cc5c(c(-c6ccccc6)c3-4)C3=C(C=CCC3)C5)cc21.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine?
The InChIKey is MILWZKNLJXNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N/c1-54(2)46-24-14-13-22-43(46)44-31-30-41(34-47(44)54)56(40-28-26-36(27-29-40)35-16-7-5-8-17-35)49-25-15-23-45-52-48(55(3,4)53(45)49)33-39-32-38-20-11-12-21-42(38)50(39)51(52)37-18-9-6-10-19-37/h5-7,9-11,13-16,18-20,22-31,33-34H,8,12,17,21,32H2,1-4H3.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine?
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine has a molecular weight of 721.99 g/mol, XLogP of 14.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine is sourced from PubChem (CID 170297032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).