N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine

C52H31NO2 — CID 170779179

IUPACN-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
SMILESc1ccc(-c2ccc3c(c2)c(N(c2ccc4c(ccc5cc6oc7ccccc7c6cc54)c2)c2ccc4oc5ccccc5c4c2)cc2ccccc23)cc1
InChIInChI=1S/C52H31NO2/c1-2-10-32(11-3-1)33-20-23-41-39-13-5-4-12-34(39)28-48(45(41)27-33)53(38-22-25-51-46(30-38)42-14-6-8-16-49(42)54-51)37-21-24-40-35(26-37)18-19-36-29-52-47(31-44(36)40)43-15-7-9-17-50(43)55-52/h1-31H
InChIKeyQFRXSFUKBUPVNK-UHFFFAOYSA-N
MW701.83 g/mol
LogP15.23
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine

N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine (PubChem CID 170779179) has the molecular formula C52H31NO2 and a molecular weight of 701.83 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
PubChem CID170779179
Molecular FormulaC52H31NO2
Molecular Weight701.83 g/mol
Exact Mass701.24
IUPAC NameN-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
SMILESc1ccc(-c2ccc3c(c2)c(N(c2ccc4c(ccc5cc6oc7ccccc7c6cc54)c2)c2ccc4oc5ccccc5c4c2)cc2ccccc23)cc1
InChIInChI=1S/C52H31NO2/c1-2-10-32(11-3-1)33-20-23-41-39-13-5-4-12-34(39)28-48(45(41)27-33)53(38-22-25-51-46(30-38)42-14-6-8-16-49(42)54-51)37-21-24-40-35(26-37)18-19-36-29-52-47(31-44(36)40)43-15-7-9-17-50(43)55-52/h1-31H
InChIKeyQFRXSFUKBUPVNK-UHFFFAOYSA-N
XLogP15.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-3-N-phenanthren-9-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 170779449
N-naphthalen-2-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779635
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-dibenzofuran-1-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170778911
N-phenyl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-amine
CID 170779008
N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779350
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 169157836
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779528

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine (CID 170779179) is N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine is c1ccc(-c2ccc3c(c2)c(N(c2ccc4c(ccc5cc6oc7ccccc7c6cc54)c2)c2ccc4oc5ccccc5c4c2)cc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine?
The InChIKey is QFRXSFUKBUPVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2/c1-2-10-32(11-3-1)33-20-23-41-39-13-5-4-12-34(39)28-48(45(41)27-33)53(38-22-25-51-46(30-38)42-14-6-8-16-49(42)54-51)37-21-24-40-35(26-37)18-19-36-29-52-47(31-44(36)40)43-15-7-9-17-50(43)55-52/h1-31H.
What are the key properties of N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine?
N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine has a molecular weight of 701.83 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine is sourced from PubChem (CID 170779179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).