5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine

C64H50N2 — CID 59412990

IUPAC5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1cc3c(c4ccccc14)-c1ccc(N(c4ccccc4)c4ccccc4)cc1C3(C)C)c1ccccc21
InChIInChI=1S/C64H50N2/c1-63(2)57-41-49(65(45-21-9-5-10-22-45)46-23-11-6-12-24-46)35-37-55(57)61-53-31-19-17-29-51(53)43(39-59(61)63)33-34-44-40-60-62(54-32-20-18-30-52(44)54)56-38-36-50(42-58(56)64(60,3)4)66(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-42H,1-4H3/b34-33+
InChIKeyBEANTAHFNJQBMH-JEIPZWNWSA-N
MW847.12 g/mol
LogP17.72
Rot. Bonds8

About 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine

5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine (PubChem CID 59412990) has the molecular formula C64H50N2 and a molecular weight of 847.12 g/mol. Its IUPAC name is 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound Name5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
PubChem CID59412990
Molecular FormulaC64H50N2
Molecular Weight847.12 g/mol
Exact Mass846.40
IUPAC Name5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1cc3c(c4ccccc14)-c1ccc(N(c4ccccc4)c4ccccc4)cc1C3(C)C)c1ccccc21
InChIInChI=1S/C64H50N2/c1-63(2)57-41-49(65(45-21-9-5-10-22-45)46-23-11-6-12-24-46)35-37-55(57)61-53-31-19-17-29-51(53)43(39-59(61)63)33-34-44-40-60-62(54-32-20-18-30-52(44)54)56-38-36-50(42-58(56)64(60,3)4)66(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-42H,1-4H3/b34-33+
InChIKeyBEANTAHFNJQBMH-JEIPZWNWSA-N
XLogP17.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.12
LogP ≤ 517.72
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

9-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;5-[(E)-2-[11,11-dimethyl-3-(N-phenylanilino)benzo[a]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-[(E)-2-[7,7-dimethyl-5-(N-phenylanilino)benzo[g]fluoren-9-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 161116900
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine
CID 164786676
21,21-dimethyl-N,N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 155298572
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
3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
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
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The IUPAC name of 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine (CID 59412990) is 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine.
What is the SMILES notation for 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The canonical SMILES for 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1cc(/C=C/c1cc3c(c4ccccc14)-c1ccc(N(c4ccccc4)c4ccccc4)cc1C3(C)C)c1ccccc21.
What is the InChIKey of 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
The InChIKey is BEANTAHFNJQBMH-JEIPZWNWSA-N. The full InChI is InChI=1S/C64H50N2/c1-63(2)57-41-49(65(45-21-9-5-10-22-45)46-23-11-6-12-24-46)35-37-55(57)61-53-31-19-17-29-51(53)43(39-59(61)63)33-34-44-40-60-62(54-32-20-18-30-52(44)54)56-38-36-50(42-58(56)64(60,3)4)66(47-25-13-7-14-26-47)48-27-15-8-16-28-48/h5-42H,1-4H3/b34-33+.
What are the key properties of 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine?
5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine has a molecular weight of 847.12 g/mol, XLogP of 17.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[7,7-dimethyl-9-(N-phenylanilino)benzo[c]fluoren-5-yl]ethenyl]-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 59412990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).