N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine

C43H37NO — CID 177114189

IUPACN-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
SMILESCc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3-c3c(Nc4cccc5c4oc4ccccc45)cccc32)c(C)c1
InChIInChI=1S/C43H37NO/c1-25-21-27(3)40(28(4)22-25)43(41-29(5)23-26(2)24-30(41)6)34-16-9-7-14-33(34)39-35(43)17-12-18-36(39)44-37-19-11-15-32-31-13-8-10-20-38(31)45-42(32)37/h7-24,44H,1-6H3
InChIKeyKHMNLYNNPVPARW-UHFFFAOYSA-N
MW583.78 g/mol
LogP11.54
Rot. Bonds4

About N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine

N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine (PubChem CID 177114189) has the molecular formula C43H37NO and a molecular weight of 583.78 g/mol. Its IUPAC name is N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
PubChem CID177114189
Molecular FormulaC43H37NO
Molecular Weight583.78 g/mol
Exact Mass583.29
IUPAC NameN-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine
SMILESCc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3-c3c(Nc4cccc5c4oc4ccccc45)cccc32)c(C)c1
InChIInChI=1S/C43H37NO/c1-25-21-27(3)40(28(4)22-25)43(41-29(5)23-26(2)24-30(41)6)34-16-9-7-14-33(34)39-35(43)17-12-18-36(39)44-37-19-11-15-32-31-13-8-10-20-38(31)45-42(32)37/h7-24,44H,1-6H3
InChIKeyKHMNLYNNPVPARW-UHFFFAOYSA-N
XLogP11.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.78
LogP ≤ 511.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730522
N-[2-(9-methylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 129293089
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
CID 172544870
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
N-(4-pyridin-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;4-(9,9'-spirobi[fluorene]-4-ylamino)benzonitrile;N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 161481736
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine?
The IUPAC name of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine (CID 177114189) is N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine?
The canonical SMILES for N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine is Cc1cc(C)c(C2(c3c(C)cc(C)cc3C)c3ccccc3-c3c(Nc4cccc5c4oc4ccccc45)cccc32)c(C)c1.
What is the InChIKey of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine?
The InChIKey is KHMNLYNNPVPARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37NO/c1-25-21-27(3)40(28(4)22-25)43(41-29(5)23-26(2)24-30(41)6)34-16-9-7-14-33(34)39-35(43)17-12-18-36(39)44-37-19-11-15-32-31-13-8-10-20-38(31)45-42(32)37/h7-24,44H,1-6H3.
What are the key properties of N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine?
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine has a molecular weight of 583.78 g/mol, XLogP of 11.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-4-yl]dibenzofuran-4-amine is sourced from PubChem (CID 177114189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).