N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine

C39H29NO — CID 129199649

IUPACN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
SMILESCC1(C)c2cc(Nc3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C39H29NO/c1-39(2)35-22-27(25-8-4-3-5-9-25)14-19-31(35)32-21-18-30(24-36(32)39)40-29-16-12-26(13-17-29)28-15-20-34-33-10-6-7-11-37(33)41-38(34)23-28/h3-24,40H,1-2H3
InChIKeyCGJDSWTXXRAXBL-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.97
Rot. Bonds4

About N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine

N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine (PubChem CID 129199649) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
PubChem CID129199649
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
SMILESCC1(C)c2cc(Nc3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C39H29NO/c1-39(2)35-22-27(25-8-4-3-5-9-25)14-19-31(35)32-21-18-30(24-36(32)39)40-29-16-12-26(13-17-29)28-15-20-34-33-10-6-7-11-37(33)41-38(34)23-28/h3-24,40H,1-2H3
InChIKeyCGJDSWTXXRAXBL-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
9-bromo-11,11-dimethylfluoreno[3,2-b][1]benzofuran;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157463522
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-[3-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964437
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158397284
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534275
N-(7-dibenzofuran-3-yl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964459

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine (CID 129199649) is N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine is CC1(C)c2cc(Nc3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
The InChIKey is CGJDSWTXXRAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)35-22-27(25-8-4-3-5-9-25)14-19-31(35)32-21-18-30(24-36(32)39)40-29-16-12-26(13-17-29)28-15-20-34-33-10-6-7-11-37(33)41-38(34)23-28/h3-24,40H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine has a molecular weight of 527.67 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 129199649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).