7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C48H42N2 — CID 123499199

IUPAC7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESC=CC=C(C=CC)N(c1ccccc1)c1ccc(C=Cc2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C48H42N2/c1-5-16-38(17-6-2)49(39-18-10-7-11-19-39)42-29-26-36(27-30-42)24-25-37-28-32-44-45-33-31-43(35-47(45)48(3,4)46(44)34-37)50(40-20-12-8-13-21-40)41-22-14-9-15-23-41/h5-35H,1H2,2-4H3
InChIKeyAQNKQXPKSPVMCX-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.42
Rot. Bonds10

About 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 123499199) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
PubChem CID123499199
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
SMILESC=CC=C(C=CC)N(c1ccccc1)c1ccc(C=Cc2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C48H42N2/c1-5-16-38(17-6-2)49(39-18-10-7-11-19-39)42-29-26-36(27-30-42)24-25-37-28-32-44-45-33-31-43(35-47(45)48(3,4)46(44)34-37)50(40-20-12-8-13-21-40)41-22-14-9-15-23-41/h5-35H,1H2,2-4H3
InChIKeyAQNKQXPKSPVMCX-UHFFFAOYSA-N
XLogP13.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 91484997
9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The IUPAC name of 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 123499199) is 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is C=CC=C(C=CC)N(c1ccccc1)c1ccc(C=Cc2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1.
What is the InChIKey of 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
The InChIKey is AQNKQXPKSPVMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-5-16-38(17-6-2)49(39-18-10-7-11-19-39)42-29-26-36(27-30-42)24-25-37-28-32-44-45-33-31-43(35-47(45)48(3,4)46(44)34-37)50(40-20-12-8-13-21-40)41-22-14-9-15-23-41/h5-35H,1H2,2-4H3.
What are the key properties of 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?
7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 646.88 g/mol, XLogP of 13.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(N-hepta-1,3,5-trien-4-ylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 123499199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).