N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine

C43H27NO2 — CID 129230912

IUPACN-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4cccc5oc6cccc3c6c45)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C43H27NO2/c1-3-11-28(12-4-1)43(35-16-9-19-38-41(35)42-36(43)17-10-20-39(42)46-38)29-21-23-31(24-22-29)44(30-13-5-2-6-14-30)32-25-26-34-33-15-7-8-18-37(33)45-40(34)27-32/h1-27H
InChIKeyIFMVEIDCXGVFBC-UHFFFAOYSA-N
MW589.69 g/mol
LogP11.65
Rot. Bonds5

About N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine (PubChem CID 129230912) has the molecular formula C43H27NO2 and a molecular weight of 589.69 g/mol. Its IUPAC name is N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine
PubChem CID129230912
Molecular FormulaC43H27NO2
Molecular Weight589.69 g/mol
Exact Mass589.20
IUPAC NameN-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4cccc5oc6cccc3c6c45)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C43H27NO2/c1-3-11-28(12-4-1)43(35-16-9-19-38-41(35)42-36(43)17-10-20-39(42)46-38)29-21-23-31(24-22-29)44(30-13-5-2-6-14-30)32-25-26-34-33-15-7-8-18-37(33)45-40(34)27-32/h1-27H
InChIKeyIFMVEIDCXGVFBC-UHFFFAOYSA-N
XLogP11.65
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,10,10,22,22-hexakis-phenylhexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 163556957
N-(4-naphthalen-1-ylphenyl)-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine;N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzothiophen-3-amine
CID 161396501
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(10,10-diphenyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-3-amine
CID 168740238
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine (CID 129230912) is N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine is c1ccc(N(c2ccc(C3(c4ccccc4)c4cccc5oc6cccc3c6c45)cc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is IFMVEIDCXGVFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2/c1-3-11-28(12-4-1)43(35-16-9-19-38-41(35)42-36(43)17-10-20-39(42)46-38)29-21-23-31(24-22-29)44(30-13-5-2-6-14-30)32-25-26-34-33-15-7-8-18-37(33)45-40(34)27-32/h1-27H.
What are the key properties of N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 589.69 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 129230912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).