N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine

C34H35N — CID 145396711

IUPACN-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine
SMILESCCC/C=C\C1=C=C2C(=C1N(C)c1ccc3c(c1)C(C)(C)c1ccccc1-3)C1=C(CC=C1)C2(C)C
InChIInChI=1S/C34H35N/c1-7-8-9-13-22-20-30-31(26-15-12-17-28(26)34(30,4)5)32(22)35(6)23-18-19-25-24-14-10-11-16-27(24)33(2,3)29(25)21-23/h9-16,18-19,21H,7-8,17H2,1-6H3/b13-9-
InChIKeyBODNQLZIDQHUPW-LCYFTJDESA-N
MW457.66 g/mol
LogP8.80
Rot. Bonds5

About N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine

N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine (PubChem CID 145396711) has the molecular formula C34H35N and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine
PubChem CID145396711
Molecular FormulaC34H35N
Molecular Weight457.66 g/mol
Exact Mass457.28
IUPAC NameN-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine
SMILESCCC/C=C\C1=C=C2C(=C1N(C)c1ccc3c(c1)C(C)(C)c1ccccc1-3)C1=C(CC=C1)C2(C)C
InChIInChI=1S/C34H35N/c1-7-8-9-13-22-20-30-31(26-15-12-17-28(26)34(30,4)5)32(22)35(6)23-18-19-25-24-14-10-11-16-27(24)33(2,3)29(25)21-23/h9-16,18-19,21H,7-8,17H2,1-6H3/b13-9-
InChIKeyBODNQLZIDQHUPW-LCYFTJDESA-N
XLogP8.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine with MolForge

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Related Compounds

N-(4-ethenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 23530073
N,9,9-trimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 70891282
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
CID 58903670
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[9H-benzo[a]azulene-10,9'-fluorene]-2'-amine
CID 166956969
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
N,9,9-trimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 166028580
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 145303021
9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
CID 121391719

Frequently Asked Questions

What is the IUPAC name of N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine?
The IUPAC name of N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine (CID 145396711) is N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine.
What is the SMILES notation for N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine?
The canonical SMILES for N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine is CCC/C=C\C1=C=C2C(=C1N(C)c1ccc3c(c1)C(C)(C)c1ccccc1-3)C1=C(CC=C1)C2(C)C.
What is the InChIKey of N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine?
The InChIKey is BODNQLZIDQHUPW-LCYFTJDESA-N. The full InChI is InChI=1S/C34H35N/c1-7-8-9-13-22-20-30-31(26-15-12-17-28(26)34(30,4)5)32(22)35(6)23-18-19-25-24-14-10-11-16-27(24)33(2,3)29(25)21-23/h9-16,18-19,21H,7-8,17H2,1-6H3/b13-9-.
What are the key properties of N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine?
N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine has a molecular weight of 457.66 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7-dimethyl-5-[(Z)-pent-1-enyl]-1H-cyclopenta[a]pentalen-4-yl]-N,9,9-trimethylfluoren-2-amine is sourced from PubChem (CID 145396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).