N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine

C54H50N2 — CID 156826962

IUPACN-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine
SMILESC=C/C=C\C=C(/C1C=CC2=C(C1)C1=C(CCC=C1)C2(C)C)N(c1ccc(-c2cccc3c4c([nH]c23)C=CCC4)cc1)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H50N2/c1-6-7-8-26-49(36-30-33-47-44(34-36)40-18-10-12-23-45(40)53(47,2)3)56(50-27-16-21-42-39-17-9-13-24-46(39)54(4,5)51(42)50)37-31-28-35(29-32-37)38-20-15-22-43-41-19-11-14-25-48(41)55-52(38)43/h6-10,13-18,20-22,24-33,36,55H,1,11-12,19,23,34H2,2-5H3/b8-7-,49-26+
InChIKeySQQVOUKRTZVIBR-LTNFSBBVSA-N
MW727.01 g/mol
LogP14.42
Rot. Bonds7

About N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine

N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine (PubChem CID 156826962) has the molecular formula C54H50N2 and a molecular weight of 727.01 g/mol. Its IUPAC name is N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine.

Molecular Properties

Compound NameN-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine
PubChem CID156826962
Molecular FormulaC54H50N2
Molecular Weight727.01 g/mol
Exact Mass726.40
IUPAC NameN-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine
SMILESC=C/C=C\C=C(/C1C=CC2=C(C1)C1=C(CCC=C1)C2(C)C)N(c1ccc(-c2cccc3c4c([nH]c23)C=CCC4)cc1)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H50N2/c1-6-7-8-26-49(36-30-33-47-44(34-36)40-18-10-12-23-45(40)53(47,2)3)56(50-27-16-21-42-39-17-9-13-24-46(39)54(4,5)51(42)50)37-31-28-35(29-32-37)38-20-15-22-43-41-19-11-14-25-48(41)55-52(38)43/h6-10,13-18,20-22,24-33,36,55H,1,11-12,19,23,34H2,2-5H3/b8-7-,49-26+
InChIKeySQQVOUKRTZVIBR-LTNFSBBVSA-N
XLogP14.42
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.01
LogP ≤ 514.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine with MolForge

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Related Compounds

9,9-dimethyl-6-[2-(2-methylphenyl)phenyl]-1,2,5,6-tetrahydrofluorene
CID 156826986
19,19-dimethyl-3-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13,15,17-octaene;ethane
CID 145085094
9,9-dimethyl-N-[(3Z,5E)-octa-1,3,5,7-tetraen-3-yl]-N-(2-phenylphenyl)fluoren-3-amine
CID 146644000
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 153369534
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
CID 166705641
(2Z)-3-(4-tert-butyl-N-[28'-(4-tert-butyl-N-dibenzofuran-4-ylanilino)-13',13',20',20'-tetramethylspiro[fluorene-9,2'-heptacyclo[16.11.0.03,15.06,14.07,12.019,27.021,26]nonacosa-1(29),3,5,7,9,11,14,16,18,21(26),24,27-dodecaene]-5'-yl]anilino)penta-2,4-dien-2-ol
CID 142304480
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(8-phenyl-2,3-dihydronaphthalen-1-yl)aniline
CID 170303502
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
3,4,7,12-tetrahydroindeno[1,2-a]carbazole
CID 139565856
N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 78046682

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine?
The IUPAC name of N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine (CID 156826962) is N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine.
What is the SMILES notation for N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine?
The canonical SMILES for N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine is C=C/C=C\C=C(/C1C=CC2=C(C1)C1=C(CCC=C1)C2(C)C)N(c1ccc(-c2cccc3c4c([nH]c23)C=CCC4)cc1)c1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine?
The InChIKey is SQQVOUKRTZVIBR-LTNFSBBVSA-N. The full InChI is InChI=1S/C54H50N2/c1-6-7-8-26-49(36-30-33-47-44(34-36)40-18-10-12-23-45(40)53(47,2)3)56(50-27-16-21-42-39-17-9-13-24-46(39)54(4,5)51(42)50)37-31-28-35(29-32-37)38-20-15-22-43-41-19-11-14-25-48(41)55-52(38)43/h6-10,13-18,20-22,24-33,36,55H,1,11-12,19,23,34H2,2-5H3/b8-7-,49-26+.
What are the key properties of N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine?
N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine has a molecular weight of 727.01 g/mol, XLogP of 14.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,9-dihydro-5H-carbazol-1-yl)phenyl]-N-[(1E,3Z)-1-(9,9-dimethyl-3,4,7,8-tetrahydrofluoren-3-yl)hexa-1,3,5-trienyl]-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 156826962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).