N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine

C46H39N — CID 146330222

IUPACN-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCC1(C)C2=CC(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)=CCC2c2ccccc21
InChIInChI=1S/C46H39N/c1-45(2)41-20-11-10-19-37(41)38-23-21-36(29-44(38)45)47(34-18-12-17-31(25-34)30-13-6-5-7-14-30)35-22-24-42-40(28-35)39-26-32-15-8-9-16-33(32)27-43(39)46(42,3)4/h5-22,24-29,38H,23H2,1-4H3
InChIKeyXBGDAADGIGWXSU-UHFFFAOYSA-N
MW605.83 g/mol
LogP12.24
Rot. Bonds4

About N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine

N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine (PubChem CID 146330222) has the molecular formula C46H39N and a molecular weight of 605.83 g/mol. Its IUPAC name is N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine
PubChem CID146330222
Molecular FormulaC46H39N
Molecular Weight605.83 g/mol
Exact Mass605.31
IUPAC NameN-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCC1(C)C2=CC(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)=CCC2c2ccccc21
InChIInChI=1S/C46H39N/c1-45(2)41-20-11-10-19-37(41)38-23-21-36(29-44(38)45)47(34-18-12-17-31(25-34)30-13-6-5-7-14-30)35-22-24-42-40(28-35)39-26-32-15-8-9-16-33(32)27-43(39)46(42,3)4/h5-22,24-29,38H,23H2,1-4H3
InChIKeyXBGDAADGIGWXSU-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138529075
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143221
N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 163747125
9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrofluoren-2-amine
CID 156558959
11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 164774857
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine
CID 158615846
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290737
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine?
The IUPAC name of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine (CID 146330222) is N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine?
The canonical SMILES for N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine is CC1(C)C2=CC(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)=CCC2c2ccccc21.
What is the InChIKey of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine?
The InChIKey is XBGDAADGIGWXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N/c1-45(2)41-20-11-10-19-37(41)38-23-21-36(29-44(38)45)47(34-18-12-17-31(25-34)30-13-6-5-7-14-30)35-22-24-42-40(28-35)39-26-32-15-8-9-16-33(32)27-43(39)46(42,3)4/h5-22,24-29,38H,23H2,1-4H3.
What are the key properties of N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine?
N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine has a molecular weight of 605.83 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-11,11-dimethyl-N-(3-phenylphenyl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 146330222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).