N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine

C41H27NO — CID 166924260

IUPACN-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(C2(c3cccc(Nc4cccc5ccccc45)c3)c3ccccc3-c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C41H27NO/c1-2-14-28(15-3-1)41(29-16-11-17-30(24-29)42-38-22-10-13-27-12-4-5-18-31(27)38)36-21-8-6-19-32(36)34-25-35-33-20-7-9-23-39(33)43-40(35)26-37(34)41/h1-26,42H
InChIKeyFOBJMNNYWBDAQE-UHFFFAOYSA-N
MW549.67 g/mol
LogP10.85
Rot. Bonds4

About N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine

N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine (PubChem CID 166924260) has the molecular formula C41H27NO and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
PubChem CID166924260
Molecular FormulaC41H27NO
Molecular Weight549.67 g/mol
Exact Mass549.21
IUPAC NameN-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(C2(c3cccc(Nc4cccc5ccccc45)c3)c3ccccc3-c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C41H27NO/c1-2-14-28(15-3-1)41(29-16-11-17-30(24-29)42-38-22-10-13-27-12-4-5-18-31(27)38)36-21-8-6-19-32(36)34-25-35-33-20-7-9-23-39(33)43-40(35)26-37(34)41/h1-26,42H
InChIKeyFOBJMNNYWBDAQE-UHFFFAOYSA-N
XLogP10.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
CID 167036333
4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176624729
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 159911224
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
CID 167309836
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
3-benzyldibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-naphthalen-1-yl-2-phenylpyrimidin-5-amine;N-phenylnaphthalen-2-amine;3-[(4-phenylphenyl)methyl]dibenzofuran
CID 161133329

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine (CID 166924260) is N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine is c1ccc(C2(c3cccc(Nc4cccc5ccccc45)c3)c3ccccc3-c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine?
The InChIKey is FOBJMNNYWBDAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NO/c1-2-14-28(15-3-1)41(29-16-11-17-30(24-29)42-38-22-10-13-27-12-4-5-18-31(27)38)36-21-8-6-19-32(36)34-25-35-33-20-7-9-23-39(33)43-40(35)26-37(34)41/h1-26,42H.
What are the key properties of N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine?
N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine has a molecular weight of 549.67 g/mol, XLogP of 10.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 166924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).