(4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine

C56H43N — CID 144939292

IUPAC(4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine
SMILESC/C1=C(/c2ccc3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3c2)CC/C=C(c2ccccc2)/N=C(/c2ccccc2)C1
InChIInChI=1S/C56H43N/c1-39-36-54(42-20-8-3-9-21-42)57-53(41-18-6-2-7-19-41)31-17-27-48(39)43-34-32-40-33-35-44(38-45(40)37-43)49-28-16-30-52-55(49)50-26-14-15-29-51(50)56(52,46-22-10-4-11-23-46)47-24-12-5-13-25-47/h2-16,18-26,28-35,37-38H,17,27,36H2,1H3/b48-39-,53-31+,57-54+
InChIKeyUENNGOGBGSNNSP-MGVCQAPISA-N
MW729.97 g/mol
LogP14.36
Rot. Bonds6

About (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine

(4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine (PubChem CID 144939292) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine.

Molecular Properties

Compound Name(4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine
PubChem CID144939292
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC Name(4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine
SMILESC/C1=C(/c2ccc3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3c2)CC/C=C(c2ccccc2)/N=C(/c2ccccc2)C1
InChIInChI=1S/C56H43N/c1-39-36-54(42-20-8-3-9-21-42)57-53(41-18-6-2-7-19-41)31-17-27-48(39)43-34-32-40-33-35-44(38-45(40)37-43)49-28-16-30-52-55(49)50-26-14-15-29-51(50)56(52,46-22-10-4-11-23-46)47-24-12-5-13-25-47/h2-16,18-26,28-35,37-38H,17,27,36H2,1H3/b48-39-,53-31+,57-54+
InChIKeyUENNGOGBGSNNSP-MGVCQAPISA-N
XLogP14.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4-[2-[3-[3-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167178352
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
4-[7-methyl-6-[[4-[2-(7-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]naphthalen-2-yl]-9,9-diphenylfluorene
CID 123544181
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine?
The IUPAC name of (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine (CID 144939292) is (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine.
What is the SMILES notation for (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine?
The canonical SMILES for (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine is C/C1=C(/c2ccc3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3c2)CC/C=C(c2ccccc2)/N=C(/c2ccccc2)C1.
What is the InChIKey of (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine?
The InChIKey is UENNGOGBGSNNSP-MGVCQAPISA-N. The full InChI is InChI=1S/C56H43N/c1-39-36-54(42-20-8-3-9-21-42)57-53(41-18-6-2-7-19-41)31-17-27-48(39)43-34-32-40-33-35-44(38-45(40)37-43)49-28-16-30-52-55(49)50-26-14-15-29-51(50)56(52,46-22-10-4-11-23-46)47-24-12-5-13-25-47/h2-16,18-26,28-35,37-38H,17,27,36H2,1H3/b48-39-,53-31+,57-54+.
What are the key properties of (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine?
(4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine has a molecular weight of 729.97 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-5-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-methyl-2,9-diphenyl-6,7-dihydro-3H-azonine is sourced from PubChem (CID 144939292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).