N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C55H34N2O3 — CID 155428415

IUPACN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C55H34N2O3/c1-3-15-35(16-4-1)55(36-17-5-2-6-18-36)42-21-9-7-19-39(42)40-31-29-37(33-43(40)55)56(46-23-13-26-49-53(46)41-20-8-11-24-47(41)58-49)38-30-32-45-52(34-38)60-51-28-14-27-50-54(51)57(45)44-22-10-12-25-48(44)59-50/h1-34H
InChIKeyGYPVMPSVCRKRPC-UHFFFAOYSA-N
MW770.89 g/mol
LogP15.10
Rot. Bonds5

About N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 155428415) has the molecular formula C55H34N2O3 and a molecular weight of 770.89 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID155428415
Molecular FormulaC55H34N2O3
Molecular Weight770.89 g/mol
Exact Mass770.26
IUPAC NameN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C55H34N2O3/c1-3-15-35(16-4-1)55(36-17-5-2-6-18-36)42-21-9-7-19-39(42)40-31-29-37(33-43(40)55)56(46-23-13-26-49-53(46)41-20-8-11-24-47(41)58-49)38-30-32-45-52(34-38)60-51-28-14-27-50-54(51)57(45)44-22-10-12-25-48(44)59-50/h1-34H
InChIKeyGYPVMPSVCRKRPC-UHFFFAOYSA-N
XLogP15.10
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.89
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

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N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
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N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
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3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
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CID 170302496
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
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N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;N-dibenzothiophen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-amine;N-dibenzothiophen-1-yl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 162255928

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 155428415) is N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c4cccc5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is GYPVMPSVCRKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O3/c1-3-15-35(16-4-1)55(36-17-5-2-6-18-36)42-21-9-7-19-39(42)40-31-29-37(33-43(40)55)56(46-23-13-26-49-53(46)41-20-8-11-24-47(41)58-49)38-30-32-45-52(34-38)60-51-28-14-27-50-54(51)57(45)44-22-10-12-25-48(44)59-50/h1-34H.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 770.89 g/mol, XLogP of 15.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 155428415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).