N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine

C45H43N — CID 88942744

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
SMILESC=C1/C(=C\CC)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C
InChIInChI=1S/C45H43N/c1-9-14-32-28(2)43(3,4)40-25-29(19-22-35(32)40)46(30-20-23-36-33-15-10-12-17-38(33)44(5,6)41(36)26-30)31-21-24-37-34-16-11-13-18-39(34)45(7,8)42(37)27-31/h10-27H,2,9H2,1,3-8H3/b32-14+
InChIKeyZXULTNCLLRHOLD-HIWRWHBISA-N
MW597.85 g/mol
LogP12.41
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 88942744) has the molecular formula C45H43N and a molecular weight of 597.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
PubChem CID88942744
Molecular FormulaC45H43N
Molecular Weight597.85 g/mol
Exact Mass597.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
SMILESC=C1/C(=C\CC)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C
InChIInChI=1S/C45H43N/c1-9-14-32-28(2)43(3,4)40-25-29(19-22-35(32)40)46(30-20-23-36-33-15-10-12-17-38(33)44(5,6)41(36)26-30)31-21-24-37-34-16-11-13-18-39(34)45(7,8)42(37)27-31/h10-27H,2,9H2,1,3-8H3/b32-14+
InChIKeyZXULTNCLLRHOLD-HIWRWHBISA-N
XLogP12.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.85
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
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-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylpenta-2,4-dien-2-yl)phenyl]fluoren-2-amine
CID 123291128
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
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
4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
CID 58098593
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine (CID 88942744) is N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine is C=C1/C(=C\CC)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is ZXULTNCLLRHOLD-HIWRWHBISA-N. The full InChI is InChI=1S/C45H43N/c1-9-14-32-28(2)43(3,4)40-25-29(19-22-35(32)40)46(30-20-23-36-33-15-10-12-17-38(33)44(5,6)41(36)26-30)31-21-24-37-34-16-11-13-18-39(34)45(7,8)42(37)27-31/h10-27H,2,9H2,1,3-8H3/b32-14+.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 597.85 g/mol, XLogP of 12.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 88942744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).