N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C71H44N2O2 — CID 167116452

IUPACN-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5N5c6ccccc6Oc6cccc4c65)cc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C71H44N2O2/c1-2-18-45(19-3-1)46-38-40-50(41-39-46)72(64-34-16-27-56-55-23-7-12-35-65(55)75-70(56)64)51-43-48(53-25-14-21-47-20-4-5-22-52(47)53)42-49(44-51)54-26-15-30-60-68(54)57-24-6-8-28-58(57)71(60)59-29-9-10-32-62(59)73-63-33-11-13-36-66(63)74-67-37-17-31-61(71)69(67)73/h1-44H
InChIKeyIDFMRMIICFAPIQ-UHFFFAOYSA-N
MW957.14 g/mol
LogP19.46
Rot. Bonds6

About N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine

N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167116452) has the molecular formula C71H44N2O2 and a molecular weight of 957.14 g/mol. Its IUPAC name is N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID167116452
Molecular FormulaC71H44N2O2
Molecular Weight957.14 g/mol
Exact Mass956.34
IUPAC NameN-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5N5c6ccccc6Oc6cccc4c65)cc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C71H44N2O2/c1-2-18-45(19-3-1)46-38-40-50(41-39-46)72(64-34-16-27-56-55-23-7-12-35-65(55)75-70(56)64)51-43-48(53-25-14-21-47-20-4-5-22-52(47)53)42-49(44-51)54-26-15-30-60-68(54)57-24-6-8-28-58(57)71(60)59-29-9-10-32-62(59)73-63-33-11-13-36-66(63)74-67-37-17-31-61(71)69(67)73/h1-44H
InChIKeyIDFMRMIICFAPIQ-UHFFFAOYSA-N
XLogP19.46
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.14
LogP ≤ 519.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-amine
CID 167116671
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170656832
N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine;N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 160757980
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-dibenzofuran-4-yl-18,18-dimethyl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaen-15-amine
CID 170656594
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine
CID 118371912
5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine
CID 146209834
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730828
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 167116452) is N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5N5c6ccccc6Oc6cccc4c65)cc(-c4cccc5ccccc45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is IDFMRMIICFAPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N2O2/c1-2-18-45(19-3-1)46-38-40-50(41-39-46)72(64-34-16-27-56-55-23-7-12-35-65(55)75-70(56)64)51-43-48(53-25-14-21-47-20-4-5-22-52(47)53)42-49(44-51)54-26-15-30-60-68(54)57-24-6-8-28-58(57)71(60)59-29-9-10-32-62(59)73-63-33-11-13-36-66(63)74-67-37-17-31-61(71)69(67)73/h1-44H.
What are the key properties of N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 957.14 g/mol, XLogP of 19.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-yl-5-spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167116452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).