N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine

C82H65N3 — CID 129111576

IUPACN-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESC=C(/C=C\C=C/C)c1c(-c2ccccc2)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(Cc5ccc6c(c5)c(-c5ccccc5)c(C5=CC=CCC=C5)n6-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc12
InChIInChI=1S/C82H65N3/c1-5-6-13-26-57(2)78-73-55-64(44-52-77(73)84(65-33-20-11-21-34-65)80(78)62-31-18-10-19-32-62)60-42-47-68(48-43-60)83(69-49-50-71-70-37-24-25-38-74(70)82(3,4)75(71)56-69)67-45-39-58(40-46-67)53-59-41-51-76-72(54-59)79(61-27-16-9-17-28-61)81(63-29-14-7-8-15-30-63)85(76)66-35-22-12-23-36-66/h5-7,9-52,54-56H,2,8,53H2,1,3-4H3/b6-5-,26-13-
InChIKeyTXZFSCVGLTZBJX-QVSXNPCKSA-N
MW1092.44 g/mol
LogP21.99
Rot. Bonds14

About N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 129111576) has the molecular formula C82H65N3 and a molecular weight of 1092.44 g/mol. Its IUPAC name is N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID129111576
Molecular FormulaC82H65N3
Molecular Weight1092.44 g/mol
Exact Mass1091.52
IUPAC NameN-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESC=C(/C=C\C=C/C)c1c(-c2ccccc2)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(Cc5ccc6c(c5)c(-c5ccccc5)c(C5=CC=CCC=C5)n6-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc12
InChIInChI=1S/C82H65N3/c1-5-6-13-26-57(2)78-73-55-64(44-52-77(73)84(65-33-20-11-21-34-65)80(78)62-31-18-10-19-32-62)60-42-47-68(48-43-60)83(69-49-50-71-70-37-24-25-38-74(70)82(3,4)75(71)56-69)67-45-39-58(40-46-67)53-59-41-51-76-72(54-59)79(61-27-16-9-17-28-61)81(63-29-14-7-8-15-30-63)85(76)66-35-22-12-23-36-66/h5-7,9-52,54-56H,2,8,53H2,1,3-4H3/b6-5-,26-13-
InChIKeyTXZFSCVGLTZBJX-QVSXNPCKSA-N
XLogP21.99
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.44
LogP ≤ 521.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine (CID 129111576) is N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine is C=C(/C=C\C=C/C)c1c(-c2ccccc2)n(-c2ccccc2)c2ccc(-c3ccc(N(c4ccc(Cc5ccc6c(c5)c(-c5ccccc5)c(C5=CC=CCC=C5)n6-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc12.
What is the InChIKey of N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is TXZFSCVGLTZBJX-QVSXNPCKSA-N. The full InChI is InChI=1S/C82H65N3/c1-5-6-13-26-57(2)78-73-55-64(44-52-77(73)84(65-33-20-11-21-34-65)80(78)62-31-18-10-19-32-62)60-42-47-68(48-43-60)83(69-49-50-71-70-37-24-25-38-74(70)82(3,4)75(71)56-69)67-45-39-58(40-46-67)53-59-41-51-76-72(54-59)79(61-27-16-9-17-28-61)81(63-29-14-7-8-15-30-63)85(76)66-35-22-12-23-36-66/h5-7,9-52,54-56H,2,8,53H2,1,3-4H3/b6-5-,26-13-.
What are the key properties of N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1092.44 g/mol, XLogP of 21.99, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyclohepta-1,3,6-trien-1-yl-1,3-diphenylindol-5-yl)methyl]phenyl]-N-[4-[3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,2-diphenylindol-5-yl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 129111576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).