3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine

C68H53N3 — CID 146602123

IUPAC3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc(N(c4cccc(N(c5ccccc5)c5cc6ccccc6c6c5C(C)(C)c5ccccc5-6)c4)c4ccc5ccccc5c4)c3)cccc21
InChIInChI=1S/C68H53N3/c1-67(2)59-36-17-16-35-58(59)65-61(67)38-21-39-62(65)70(49-25-7-5-8-26-49)53-31-19-29-51(44-53)69(55-41-40-46-22-11-12-23-47(46)42-55)52-30-20-32-54(45-52)71(50-27-9-6-10-28-50)63-43-48-24-13-14-33-56(48)64-57-34-15-18-37-60(57)68(3,4)66(63)64/h5-45H,1-4H3
InChIKeyJVLLHRLCABGVKN-UHFFFAOYSA-N
MW912.19 g/mol
LogP19.01
Rot. Bonds9

About 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine

3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine (PubChem CID 146602123) has the molecular formula C68H53N3 and a molecular weight of 912.19 g/mol. Its IUPAC name is 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
PubChem CID146602123
Molecular FormulaC68H53N3
Molecular Weight912.19 g/mol
Exact Mass911.42
IUPAC Name3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc(N(c4cccc(N(c5ccccc5)c5cc6ccccc6c6c5C(C)(C)c5ccccc5-6)c4)c4ccc5ccccc5c4)c3)cccc21
InChIInChI=1S/C68H53N3/c1-67(2)59-36-17-16-35-58(59)65-61(67)38-21-39-62(65)70(49-25-7-5-8-26-49)53-31-19-29-51(44-53)69(55-41-40-46-22-11-12-23-47(46)42-55)52-30-20-32-54(45-52)71(50-27-9-6-10-28-50)63-43-48-24-13-14-33-56(48)64-57-34-15-18-37-60(57)68(3,4)66(63)64/h5-45H,1-4H3
InChIKeyJVLLHRLCABGVKN-UHFFFAOYSA-N
XLogP19.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.19
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine 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-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019857
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775124
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
N-(9,9-dimethylfluoren-4-yl)-N-(3-naphthalen-2-ylphenyl)benzo[g]phenanthren-3-amine
CID 167183259
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[3-(N-phenylanilino)naphthalen-2-yl]phenanthren-2-amine
CID 170285516
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine (CID 146602123) is 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc(N(c4cccc(N(c5ccccc5)c5cc6ccccc6c6c5C(C)(C)c5ccccc5-6)c4)c4ccc5ccccc5c4)c3)cccc21.
What is the InChIKey of 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
The InChIKey is JVLLHRLCABGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53N3/c1-67(2)59-36-17-16-35-58(59)65-61(67)38-21-39-62(65)70(49-25-7-5-8-26-49)53-31-19-29-51(44-53)69(55-41-40-46-22-11-12-23-47(46)42-55)52-30-20-32-54(45-52)71(50-27-9-6-10-28-50)63-43-48-24-13-14-33-56(48)64-57-34-15-18-37-60(57)68(3,4)66(63)64/h5-45H,1-4H3.
What are the key properties of 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine?
3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine has a molecular weight of 912.19 g/mol, XLogP of 19.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 146602123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).