N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine

C50H41N — CID 174308121

IUPACN-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(C(=C/Cc3cccc(-c4cccc5c4-c4ccccc4C5(C)C)c3)/N=C/c3ccccc3)cccc21
InChIInChI=1S/C50H41N/c1-49(2)42-24-11-10-21-39(42)47-38(22-13-25-43(47)49)37-20-12-17-33(29-37)27-28-46(51-32-34-15-6-5-7-16-34)40-23-14-26-44-48(40)41-30-35-18-8-9-19-36(35)31-45(41)50(44,3)4/h5-26,28-32H,27H2,1-4H3/b46-28-,51-32+
InChIKeyDPARDAIZPVYMBT-AKNSXJHYSA-N
MW655.89 g/mol
LogP12.82
Rot. Bonds6

About N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine

N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine (PubChem CID 174308121) has the molecular formula C50H41N and a molecular weight of 655.89 g/mol. Its IUPAC name is N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine
PubChem CID174308121
Molecular FormulaC50H41N
Molecular Weight655.89 g/mol
Exact Mass655.32
IUPAC NameN-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(C(=C/Cc3cccc(-c4cccc5c4-c4ccccc4C5(C)C)c3)/N=C/c3ccccc3)cccc21
InChIInChI=1S/C50H41N/c1-49(2)42-24-11-10-21-39(42)47-38(22-13-25-43(47)49)37-20-12-17-33(29-37)27-28-46(51-32-34-15-6-5-7-16-34)40-23-14-26-44-48(40)41-30-35-18-8-9-19-36(35)31-45(41)50(44,3)4/h5-26,28-32H,27H2,1-4H3/b46-28-,51-32+
InChIKeyDPARDAIZPVYMBT-AKNSXJHYSA-N
XLogP12.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.89
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(3-naphthalen-1-ylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174310633
N'-[(Z)-1-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)prop-1-enyl]benzenecarboximidamide
CID 174310490
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
CID 176834989
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134272072
N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(4-phenylphenyl)prop-1-enyl]-1-phenylmethanediamine
CID 174307989
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)-5-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176794266
11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene
CID 140724897
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176793458
(E)-3-[4-[(E)-3-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]prop-2-enyl]phenyl]but-2-en-1-imine
CID 174310102
N'-[(Z)-1-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 176835217
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076
N'-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-(7,7-dimethylbenzo[g]fluoren-9-yl)prop-1-enyl]-1-phenylmethanediamine
CID 174308735

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine?
The IUPAC name of N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine (CID 174308121) is N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine?
The canonical SMILES for N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine is CC1(C)c2cc3ccccc3cc2-c2c(C(=C/Cc3cccc(-c4cccc5c4-c4ccccc4C5(C)C)c3)/N=C/c3ccccc3)cccc21.
What is the InChIKey of N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine?
The InChIKey is DPARDAIZPVYMBT-AKNSXJHYSA-N. The full InChI is InChI=1S/C50H41N/c1-49(2)42-24-11-10-21-39(42)47-38(22-13-25-43(47)49)37-20-12-17-33(29-37)27-28-46(51-32-34-15-6-5-7-16-34)40-23-14-26-44-48(40)41-30-35-18-8-9-19-36(35)31-45(41)50(44,3)4/h5-26,28-32H,27H2,1-4H3/b46-28-,51-32+.
What are the key properties of N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine?
N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine has a molecular weight of 655.89 g/mol, XLogP of 12.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(11,11-dimethylbenzo[b]fluoren-4-yl)-3-[3-(9,9-dimethylfluoren-4-yl)phenyl]prop-1-enyl]-1-phenylmethanimine is sourced from PubChem (CID 174308121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).