N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine

C50H39N — CID 167232336

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4cccc5c4c3-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C50H39N/c1-49(2)43-21-10-8-18-41(43)48-46(30-25-34-15-12-22-44(49)47(34)48)51(36-28-29-40-39-17-7-9-20-42(39)50(3,4)45(40)31-36)35-26-23-33(24-27-35)38-19-11-14-32-13-5-6-16-37(32)38/h5-31H,1-4H3
InChIKeyUMBDJSORHCUTEV-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine (PubChem CID 167232336) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
PubChem CID167232336
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4cccc5c4c3-c3ccccc3C5(C)C)cc21
InChIInChI=1S/C50H39N/c1-49(2)43-21-10-8-18-41(43)48-46(30-25-34-15-12-22-44(49)47(34)48)51(36-28-29-40-39-17-7-9-20-42(39)50(3,4)45(40)31-36)35-26-23-33(24-27-35)38-19-11-14-32-13-5-6-16-37(32)38/h5-31H,1-4H3
InChIKeyUMBDJSORHCUTEV-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-8-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]phenalen-1-amine
CID 167232102
N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
CID 177294607
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoranthen-1-amine
CID 139499086
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine (CID 167232336) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4cccc5c4c3-c3ccccc3C5(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine?
The InChIKey is UMBDJSORHCUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-49(2)43-21-10-8-18-41(43)48-46(30-25-34-15-12-22-44(49)47(34)48)51(36-28-29-40-39-17-7-9-20-42(39)50(3,4)45(40)31-36)35-26-23-33(24-27-35)38-19-11-14-32-13-5-6-16-37(32)38/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine has a molecular weight of 653.87 g/mol, XLogP of 13.74, 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)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine is sourced from PubChem (CID 167232336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).