N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine

C37H27NO — CID 164929416

IUPACN-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc3ccccc3c21
InChIInChI=1S/C37H27NO/c1-37(2)30-20-10-8-18-29(30)34-32(23-24-13-6-7-16-26(24)35(34)37)38(25-14-4-3-5-15-25)31-21-12-19-28-27-17-9-11-22-33(27)39-36(28)31/h3-23H,1-2H3
InChIKeyHSGKIIDSPKFZBT-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.52
Rot. Bonds3

About N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine

N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine (PubChem CID 164929416) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
PubChem CID164929416
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC NameN-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc3ccccc3c21
InChIInChI=1S/C37H27NO/c1-37(2)30-20-10-8-18-29(30)34-32(23-24-13-6-7-16-26(24)35(34)37)38(25-14-4-3-5-15-25)31-21-12-19-28-27-17-9-11-22-33(27)39-36(28)31/h3-23H,1-2H3
InChIKeyHSGKIIDSPKFZBT-UHFFFAOYSA-N
XLogP10.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929447
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170412936
N-(7,7-dimethyl-1-phenanthren-9-ylbenzo[a]phenalen-8-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167232265
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-phenyldibenzofuran-4-amine
CID 121431505
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790978
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine (CID 164929416) is N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc3ccccc3c21.
What is the InChIKey of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine?
The InChIKey is HSGKIIDSPKFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-37(2)30-20-10-8-18-29(30)34-32(23-24-13-6-7-16-26(24)35(34)37)38(25-14-4-3-5-15-25)31-21-12-19-28-27-17-9-11-22-33(27)39-36(28)31/h3-23H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine?
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine has a molecular weight of 501.63 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 164929416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).