4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline

C53H51N — CID 144660511

IUPAC4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
SMILESC/C(=C/C=C(\C)c1ccc(N(C2=CCC(c3ccccc3)C=C2)c2ccc(C3C=C4C(=CC3)c3ccccc3C4(C)C)cc2)cc1)Cc1ccccc1C
InChIInChI=1S/C53H51N/c1-37(35-44-16-10-9-13-38(44)2)19-20-39(3)40-21-28-46(29-22-40)54(47-30-23-42(24-31-47)41-14-7-6-8-15-41)48-32-25-43(26-33-48)45-27-34-50-49-17-11-12-18-51(49)53(4,5)52(50)36-45/h6-23,25-26,28-34,36,42,45H,24,27,35H2,1-5H3/b37-19-,39-20+
InChIKeyVKSTZUDPVUUNAD-XQPTYGJNSA-N
MW702.00 g/mol
LogP14.14
Rot. Bonds9

About 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline

4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 144660511) has the molecular formula C53H51N and a molecular weight of 702.00 g/mol. Its IUPAC name is 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID144660511
Molecular FormulaC53H51N
Molecular Weight702.00 g/mol
Exact Mass701.40
IUPAC Name4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
SMILESC/C(=C/C=C(\C)c1ccc(N(C2=CCC(c3ccccc3)C=C2)c2ccc(C3C=C4C(=CC3)c3ccccc3C4(C)C)cc2)cc1)Cc1ccccc1C
InChIInChI=1S/C53H51N/c1-37(35-44-16-10-9-13-38(44)2)19-20-39(3)40-21-28-46(29-22-40)54(47-30-23-42(24-31-47)41-14-7-6-8-15-41)48-32-25-43(26-33-48)45-27-34-50-49-17-11-12-18-51(49)53(4,5)52(50)36-45/h6-23,25-26,28-34,36,42,45H,24,27,35H2,1-5H3/b37-19-,39-20+
InChIKeyVKSTZUDPVUUNAD-XQPTYGJNSA-N
XLogP14.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.00
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline (CID 144660511) is 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline is C/C(=C/C=C(\C)c1ccc(N(C2=CCC(c3ccccc3)C=C2)c2ccc(C3C=C4C(=CC3)c3ccccc3C4(C)C)cc2)cc1)Cc1ccccc1C.
What is the InChIKey of 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is VKSTZUDPVUUNAD-XQPTYGJNSA-N. The full InChI is InChI=1S/C53H51N/c1-37(35-44-16-10-9-13-38(44)2)19-20-39(3)40-21-28-46(29-22-40)54(47-30-23-42(24-31-47)41-14-7-6-8-15-41)48-32-25-43(26-33-48)45-27-34-50-49-17-11-12-18-51(49)53(4,5)52(50)36-45/h6-23,25-26,28-34,36,42,45H,24,27,35H2,1-5H3/b37-19-,39-20+.
What are the key properties of 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 702.00 g/mol, XLogP of 14.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 144660511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).