N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine

C53H50N2 — CID 155335328

IUPACN-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
SMILESCC/C=C\C1C(C)c2cc(-c3ccc(N(C4=CCC(C)(c5ccccc5)C=C4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2N1c1ccccc1
InChIInChI=1S/C53H50N2/c1-6-7-22-50-37(2)47-35-39(25-30-51(47)55(50)41-18-12-9-13-19-41)38-23-26-42(27-24-38)54(43-31-33-53(5,34-32-43)40-16-10-8-11-17-40)44-28-29-46-45-20-14-15-21-48(45)52(3,4)49(46)36-44/h7-33,35-37,50H,6,34H2,1-5H3/b22-7-
InChIKeyNBLZJPQJLBIGOD-HOEBFWFUSA-N
MW715.00 g/mol
LogP14.19
Rot. Bonds8

About N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine

N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine (PubChem CID 155335328) has the molecular formula C53H50N2 and a molecular weight of 715.00 g/mol. Its IUPAC name is N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
PubChem CID155335328
Molecular FormulaC53H50N2
Molecular Weight715.00 g/mol
Exact Mass714.40
IUPAC NameN-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
SMILESCC/C=C\C1C(C)c2cc(-c3ccc(N(C4=CCC(C)(c5ccccc5)C=C4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2N1c1ccccc1
InChIInChI=1S/C53H50N2/c1-6-7-22-50-37(2)47-35-39(25-30-51(47)55(50)41-18-12-9-13-19-41)38-23-26-42(27-24-38)54(43-31-33-53(5,34-32-43)40-16-10-8-11-17-40)44-28-29-46-45-20-14-15-21-48(45)52(3,4)49(46)36-44/h7-33,35-37,50H,6,34H2,1-5H3/b22-7-
InChIKeyNBLZJPQJLBIGOD-HOEBFWFUSA-N
XLogP14.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.00
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(Z)-but-1-en-3-ynyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154950141
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 167281399
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylphenanthridin-2-yl)phenyl]fluoren-2-amine
CID 142725357
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
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
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The IUPAC name of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine (CID 155335328) is N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine.
What is the SMILES notation for N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The canonical SMILES for N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine is CC/C=C\C1C(C)c2cc(-c3ccc(N(C4=CCC(C)(c5ccccc5)C=C4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc2N1c1ccccc1.
What is the InChIKey of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
The InChIKey is NBLZJPQJLBIGOD-HOEBFWFUSA-N. The full InChI is InChI=1S/C53H50N2/c1-6-7-22-50-37(2)47-35-39(25-30-51(47)55(50)41-18-12-9-13-19-41)38-23-26-42(27-24-38)54(43-31-33-53(5,34-32-43)40-16-10-8-11-17-40)44-28-29-46-45-20-14-15-21-48(45)52(3,4)49(46)36-44/h7-33,35-37,50H,6,34H2,1-5H3/b22-7-.
What are the key properties of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine?
N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine has a molecular weight of 715.00 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine is sourced from PubChem (CID 155335328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).