N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine

C49H40N2 — CID 89408825

IUPACN,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine
SMILESCc1c(C)n(-c2ccccc2)c2cc3c(cc12)-c1ccc(/C=C/c2cccc4c(N(c5ccccc5)c5ccccc5)cccc24)cc1C3(C)C
InChIInChI=1S/C49H40N2/c1-33-34(2)50(37-17-8-5-9-18-37)48-32-46-44(31-43(33)48)41-29-27-35(30-45(41)49(46,3)4)26-28-36-16-14-24-42-40(36)23-15-25-47(42)51(38-19-10-6-11-20-38)39-21-12-7-13-22-39/h5-32H,1-4H3/b28-26+
InChIKeyBQLYZCAJNYFTLA-BYCLXTJYSA-N
MW656.87 g/mol
LogP13.35
Rot. Bonds6

About N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine

N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine (PubChem CID 89408825) has the molecular formula C49H40N2 and a molecular weight of 656.87 g/mol. Its IUPAC name is N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine
PubChem CID89408825
Molecular FormulaC49H40N2
Molecular Weight656.87 g/mol
Exact Mass656.32
IUPAC NameN,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine
SMILESCc1c(C)n(-c2ccccc2)c2cc3c(cc12)-c1ccc(/C=C/c2cccc4c(N(c5ccccc5)c5ccccc5)cccc24)cc1C3(C)C
InChIInChI=1S/C49H40N2/c1-33-34(2)50(37-17-8-5-9-18-37)48-32-46-44(31-43(33)48)41-29-27-35(30-45(41)49(46,3)4)26-28-36-16-14-24-42-40(36)23-15-25-47(42)51(38-19-10-6-11-20-38)39-21-12-7-13-22-39/h5-32H,1-4H3/b28-26+
InChIKeyBQLYZCAJNYFTLA-BYCLXTJYSA-N
XLogP13.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]aniline
CID 89408801
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]naphthalen-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 59246065
7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90896826
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 123754936
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 59246344
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 89068019
N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 123939111
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89408857
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine;7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-2-yl]ethenyl]pyren-1-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158018910

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine (CID 89408825) is N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine is Cc1c(C)n(-c2ccccc2)c2cc3c(cc12)-c1ccc(/C=C/c2cccc4c(N(c5ccccc5)c5ccccc5)cccc24)cc1C3(C)C.
What is the InChIKey of N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine?
The InChIKey is BQLYZCAJNYFTLA-BYCLXTJYSA-N. The full InChI is InChI=1S/C49H40N2/c1-33-34(2)50(37-17-8-5-9-18-37)48-32-46-44(31-43(33)48)41-29-27-35(30-45(41)49(46,3)4)26-28-36-16-14-24-42-40(36)23-15-25-47(42)51(38-19-10-6-11-20-38)39-21-12-7-13-22-39/h5-32H,1-4H3/b28-26+.
What are the key properties of N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine?
N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine has a molecular weight of 656.87 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-[(E)-2-(2,3,9,9-tetramethyl-1-phenylindeno[1,2-f]indol-7-yl)ethenyl]naphthalen-1-amine is sourced from PubChem (CID 89408825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).