N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

C51H35NO — CID 171732012

IUPACN-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
SMILESC1=CC2c3cc(N(c4ccccc4)c4cccc5c4ccc4cc6c(cc45)oc4ccccc46)ccc3C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C51H35NO/c1-4-15-35(16-5-1)51(36-17-6-2-7-18-36)46-24-12-10-21-40(46)44-32-38(28-30-47(44)51)52(37-19-8-3-9-20-37)48-25-14-23-39-41(48)29-27-34-31-45-42-22-11-13-26-49(42)53-50(45)33-43(34)39/h1-33,40,46H
InChIKeyPFDOAWXNWKRMCS-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.54
Rot. Bonds5

About N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (PubChem CID 171732012) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.

Molecular Properties

Compound NameN-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
PubChem CID171732012
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC NameN-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
SMILESC1=CC2c3cc(N(c4ccccc4)c4cccc5c4ccc4cc6c(cc45)oc4ccccc46)ccc3C(c3ccccc3)(c3ccccc3)C2C=C1
InChIInChI=1S/C51H35NO/c1-4-15-35(16-5-1)51(36-17-6-2-7-18-36)46-24-12-10-21-40(46)44-32-38(28-30-47(44)51)52(37-19-8-3-9-20-37)48-25-14-23-39-41(48)29-27-34-31-45-42-22-11-13-26-49(42)53-50(45)33-43(34)39/h1-33,40,46H
InChIKeyPFDOAWXNWKRMCS-UHFFFAOYSA-N
XLogP13.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The IUPAC name of N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (CID 171732012) is N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.
What is the SMILES notation for N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The canonical SMILES for N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is C1=CC2c3cc(N(c4ccccc4)c4cccc5c4ccc4cc6c(cc45)oc4ccccc46)ccc3C(c3ccccc3)(c3ccccc3)C2C=C1.
What is the InChIKey of N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
The InChIKey is PFDOAWXNWKRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-4-15-35(16-5-1)51(36-17-6-2-7-18-36)46-24-12-10-21-40(46)44-32-38(28-30-47(44)51)52(37-19-8-3-9-20-37)48-25-14-23-39-41(48)29-27-34-31-45-42-22-11-13-26-49(42)53-50(45)33-43(34)39/h1-33,40,46H.
What are the key properties of N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?
N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine has a molecular weight of 677.85 g/mol, XLogP of 13.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenyl-4b,8a-dihydrofluoren-3-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is sourced from PubChem (CID 171732012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).