N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine

C44H34N2O — CID 170024497

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(C4=CC5=c6oc(-c7ccccc7)nc6=CCC5C=C4)c4ccccc4)cc3)cccc21
InChIInChI=1S/C44H34N2O/c1-44(2)38-18-10-9-16-36(38)41-35(17-11-19-39(41)44)29-20-24-33(25-21-29)46(32-14-7-4-8-15-32)34-26-22-30-23-27-40-42(37(30)28-34)47-43(45-40)31-12-5-3-6-13-31/h3-22,24-28,30H,23H2,1-2H3
InChIKeyDVJBPNQYTBKSIR-UHFFFAOYSA-N
MW606.77 g/mol
LogP9.56
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine (PubChem CID 170024497) has the molecular formula C44H34N2O and a molecular weight of 606.77 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine
PubChem CID170024497
Molecular FormulaC44H34N2O
Molecular Weight606.77 g/mol
Exact Mass606.27
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(C4=CC5=c6oc(-c7ccccc7)nc6=CCC5C=C4)c4ccccc4)cc3)cccc21
InChIInChI=1S/C44H34N2O/c1-44(2)38-18-10-9-16-36(38)41-35(17-11-19-39(41)44)29-20-24-33(25-21-29)46(32-14-7-4-8-15-32)34-26-22-30-23-27-40-42(37(30)28-34)47-43(45-40)31-12-5-3-6-13-31/h3-22,24-28,30H,23H2,1-2H3
InChIKeyDVJBPNQYTBKSIR-UHFFFAOYSA-N
XLogP9.56
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine with MolForge

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Related Compounds

N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]fluoren-3-amine
CID 176785921
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
CID 169039700

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine (CID 170024497) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(C4=CC5=c6oc(-c7ccccc7)nc6=CCC5C=C4)c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
The InChIKey is DVJBPNQYTBKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2O/c1-44(2)38-18-10-9-16-36(38)41-35(17-11-19-39(41)44)29-20-24-33(25-21-29)46(32-14-7-4-8-15-32)34-26-22-30-23-27-40-42(37(30)28-34)47-43(45-40)31-12-5-3-6-13-31/h3-22,24-28,30H,23H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine has a molecular weight of 606.77 g/mol, XLogP of 9.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,2-diphenyl-5,5a-dihydrobenzo[g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 170024497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).