N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C55H52N2 — CID 142867934

IUPACN-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESC/C=C\C=C/C(C)N(c1ccc(-c2ccc(N(C3=CC=CCC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H52N2/c1-7-8-10-17-38(2)56(44-32-34-48-46-20-13-15-22-50(46)54(3,4)52(48)36-44)42-28-24-39(25-29-42)40-26-30-43(31-27-40)57(41-18-11-9-12-19-41)45-33-35-49-47-21-14-16-23-51(47)55(5,6)53(49)37-45/h7-11,13-18,20-38H,12,19H2,1-6H3/b8-7-,17-10-
InChIKeyUIMKLWGRYRXQQS-DHOMPDSJSA-N
MW741.04 g/mol
LogP15.00
Rot. Bonds9

About N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 142867934) has the molecular formula C55H52N2 and a molecular weight of 741.04 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID142867934
Molecular FormulaC55H52N2
Molecular Weight741.04 g/mol
Exact Mass740.41
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESC/C=C\C=C/C(C)N(c1ccc(-c2ccc(N(C3=CC=CCC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C55H52N2/c1-7-8-10-17-38(2)56(44-32-34-48-46-20-13-15-22-50(46)54(3,4)52(48)36-44)42-28-24-39(25-29-42)40-26-30-43(31-27-40)57(41-18-11-9-12-19-41)45-33-35-49-47-21-14-16-23-51(47)55(5,6)53(49)37-45/h7-11,13-18,20-38H,12,19H2,1-6H3/b8-7-,17-10-
InChIKeyUIMKLWGRYRXQQS-DHOMPDSJSA-N
XLogP15.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.04
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
N-cyclohexa-1,3-dien-1-yl-7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89049784
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89356008
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[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 89104265
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 142867934) is N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is C/C=C\C=C/C(C)N(c1ccc(-c2ccc(N(C3=CC=CCC3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is UIMKLWGRYRXQQS-DHOMPDSJSA-N. The full InChI is InChI=1S/C55H52N2/c1-7-8-10-17-38(2)56(44-32-34-48-46-20-13-15-22-50(46)54(3,4)52(48)36-44)42-28-24-39(25-29-42)40-26-30-43(31-27-40)57(41-18-11-9-12-19-41)45-33-35-49-47-21-14-16-23-51(47)55(5,6)53(49)37-45/h7-11,13-18,20-38H,12,19H2,1-6H3/b8-7-,17-10-.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 741.04 g/mol, XLogP of 15.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(3Z,5Z)-hepta-3,5-dien-2-yl]amino]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 142867934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).