N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine

C51H31NO3 — CID 146365158

IUPACN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C51H31NO3/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(35-27-29-47-41(30-35)39-16-6-10-20-45(39)53-47)36-26-28-44-48(31-36)54-49-40-17-7-11-21-46(40)55-50(49)51(44)42-18-8-4-14-37(42)38-15-5-9-19-43(38)51/h1-31H
InChIKeyZRMPJVDTIDZLTR-UHFFFAOYSA-N
MW705.81 g/mol
LogP13.94
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine

N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (PubChem CID 146365158) has the molecular formula C51H31NO3 and a molecular weight of 705.81 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
PubChem CID146365158
Molecular FormulaC51H31NO3
Molecular Weight705.81 g/mol
Exact Mass705.23
IUPAC NameN-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C51H31NO3/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(35-27-29-47-41(30-35)39-16-6-10-20-45(39)53-47)36-26-28-44-48(31-36)54-49-40-17-7-11-21-46(40)55-50(49)51(44)42-18-8-4-14-37(42)38-15-5-9-19-43(38)51/h1-31H
InChIKeyZRMPJVDTIDZLTR-UHFFFAOYSA-N
XLogP13.94
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.81
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365250
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-8-amine
CID 146365117
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 159689276
N-dibenzofuran-2-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 146365352
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365284
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 157265622
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
CID 146365355
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine
CID 161152481
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
7-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-7-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;7-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-7-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;3-N-dibenzofuran-3-yl-3-N-naphthalen-1-yl-7-N,7-N-bis(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine;3-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-7-N-naphthalen-1-yl-7-N-phenylspiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3,7-diamine
CID 157473039
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (CID 146365158) is N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
The InChIKey is ZRMPJVDTIDZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NO3/c1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(35-27-29-47-41(30-35)39-16-6-10-20-45(39)53-47)36-26-28-44-48(31-36)54-49-40-17-7-11-21-46(40)55-50(49)51(44)42-18-8-4-14-37(42)38-15-5-9-19-43(38)51/h1-31H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine?
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine has a molecular weight of 705.81 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine is sourced from PubChem (CID 146365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).