N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine

C47H43N — CID 123855546

IUPACN-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine
SMILESCC1(C)c2ccccc2C2C=CC(N(C3=CCC(C4=CCCC=C4)C=C3c3ccccc3)c3ccc4ccc5c(c4c3)=CCCC=5)=CC21
InChIInChI=1S/C47H43N/c1-47(2)44-20-12-11-19-40(44)41-27-26-38(31-45(41)47)48(37-25-23-35-22-21-34-17-9-10-18-39(34)42(35)30-37)46-28-24-36(32-13-5-3-6-14-32)29-43(46)33-15-7-4-8-16-33/h4-5,7-8,11-23,25-31,36,41,45H,3,6,9-10,24H2,1-2H3
InChIKeyYQQCDTQSYNWGHY-UHFFFAOYSA-N
MW621.87 g/mol
LogP10.41
Rot. Bonds5

About N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine

N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine (PubChem CID 123855546) has the molecular formula C47H43N and a molecular weight of 621.87 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine
PubChem CID123855546
Molecular FormulaC47H43N
Molecular Weight621.87 g/mol
Exact Mass621.34
IUPAC NameN-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine
SMILESCC1(C)c2ccccc2C2C=CC(N(C3=CCC(C4=CCCC=C4)C=C3c3ccccc3)c3ccc4ccc5c(c4c3)=CCCC=5)=CC21
InChIInChI=1S/C47H43N/c1-47(2)44-20-12-11-19-40(44)41-27-26-38(31-45(41)47)48(37-25-23-35-22-21-34-17-9-10-18-39(34)42(35)30-37)46-28-24-36(32-13-5-3-6-14-32)29-43(46)33-15-7-4-8-16-33/h4-5,7-8,11-23,25-31,36,41,45H,3,6,9-10,24H2,1-2H3
InChIKeyYQQCDTQSYNWGHY-UHFFFAOYSA-N
XLogP10.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.87
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-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-(3-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylphenyl]-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenanthren-9-amine
CID 155416824
N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
CID 155010298
N-(6-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)spiro[4a,7,8,9a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 166864273
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180
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-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)-5,6,7a,11a-tetrahydrofluoreno[5,6-b][1]benzothiol-9-amine
CID 163512500
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
4-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-naphthalen-2-ylanilino]-6-(2-methylphenyl)cyclohexa-1,3-diene-1-thiol
CID 154955293
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N-[4-(4-ethyl-4H-chromen-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)-4a,9a-dihydrofluorene-2,7-diamine
CID 170267530
3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-1-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
CID 118485801
N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
CID 174110881

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine (CID 123855546) is N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine is CC1(C)c2ccccc2C2C=CC(N(C3=CCC(C4=CCCC=C4)C=C3c3ccccc3)c3ccc4ccc5c(c4c3)=CCCC=5)=CC21.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine?
The InChIKey is YQQCDTQSYNWGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43N/c1-47(2)44-20-12-11-19-40(44)41-27-26-38(31-45(41)47)48(37-25-23-35-22-21-34-17-9-10-18-39(34)42(35)30-37)46-28-24-36(32-13-5-3-6-14-32)29-43(46)33-15-7-4-8-16-33/h4-5,7-8,11-23,25-31,36,41,45H,3,6,9-10,24H2,1-2H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine?
N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine has a molecular weight of 621.87 g/mol, XLogP of 10.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-yl-6-phenylcyclohexa-1,5-dien-1-yl)-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-6,7-dihydrophenanthren-3-amine is sourced from PubChem (CID 123855546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).