[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine

C49H41N3 — CID 145340721

IUPAC[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)N(c4ccc(/C(=C\C=N/CN)c6ccccc6)cc4)C4=CC=CCC45)c3)cc21
InChIInChI=1S/C49H41N3/c1-49(2)45-17-8-6-15-41(45)42-25-21-37(30-46(42)49)35-13-10-14-36(29-35)38-22-26-44-43-16-7-9-18-47(43)52(48(44)31-38)39-23-19-34(20-24-39)40(27-28-51-32-50)33-11-4-3-5-12-33/h3-15,17-31,43H,16,32,50H2,1-2H3/b40-27-,51-28-
InChIKeyBFVPVIZMFBUDNF-IKAHFQOZSA-N
MW671.89 g/mol
LogP11.82
Rot. Bonds7

About [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine

[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine (PubChem CID 145340721) has the molecular formula C49H41N3 and a molecular weight of 671.89 g/mol. Its IUPAC name is [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine.

Molecular Properties

Compound Name[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine
PubChem CID145340721
Molecular FormulaC49H41N3
Molecular Weight671.89 g/mol
Exact Mass671.33
IUPAC Name[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)N(c4ccc(/C(=C\C=N/CN)c6ccccc6)cc4)C4=CC=CCC45)c3)cc21
InChIInChI=1S/C49H41N3/c1-49(2)45-17-8-6-15-41(45)42-25-21-37(30-46(42)49)35-13-10-14-36(29-35)38-22-26-44-43-16-7-9-18-47(43)52(48(44)31-38)39-23-19-34(20-24-39)40(27-28-51-32-50)33-11-4-3-5-12-33/h3-15,17-31,43H,16,32,50H2,1-2H3/b40-27-,51-28-
InChIKeyBFVPVIZMFBUDNF-IKAHFQOZSA-N
XLogP11.82
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
ethane;9-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-7-[4-(2-phenylcycloprop-2-en-1-yl)phenyl]-4,4a-dihydrocarbazole;1-phenylethenamine;toluene
CID 144785421
7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
CID 144907676
7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
CID 70819605
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167154560

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine?
The IUPAC name of [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine (CID 145340721) is [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine.
What is the SMILES notation for [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine?
The canonical SMILES for [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)N(c4ccc(/C(=C\C=N/CN)c6ccccc6)cc4)C4=CC=CCC45)c3)cc21.
What is the InChIKey of [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine?
The InChIKey is BFVPVIZMFBUDNF-IKAHFQOZSA-N. The full InChI is InChI=1S/C49H41N3/c1-49(2)45-17-8-6-15-41(45)42-25-21-37(30-46(42)49)35-13-10-14-36(29-35)38-22-26-44-43-16-7-9-18-47(43)52(48(44)31-38)39-23-19-34(20-24-39)40(27-28-51-32-50)33-11-4-3-5-12-33/h3-15,17-31,43H,16,32,50H2,1-2H3/b40-27-,51-28-.
What are the key properties of [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine?
[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine has a molecular weight of 671.89 g/mol, XLogP of 11.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine is sourced from PubChem (CID 145340721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).