N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

C74H46N2O — CID 135168391

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc6c7ccccc7n-5c46)cc32)cc1
InChIInChI=1S/C74H46N2O/c1-3-18-49(19-4-1)73(50-20-5-2-6-21-50)62-28-12-7-24-56(62)57-41-39-52(45-66(57)73)75(51-37-34-47(35-38-51)48-36-43-71-61(44-48)59-26-11-16-33-70(59)77-71)53-40-42-69-67(46-53)74(63-29-13-8-22-54(63)55-23-9-14-30-64(55)74)65-31-17-27-60-58-25-10-15-32-68(58)76(69)72(60)65/h1-46H
InChIKeyNYRFPICHKAVMTJ-UHFFFAOYSA-N
MW979.20 g/mol
LogP18.86
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine (PubChem CID 135168391) has the molecular formula C74H46N2O and a molecular weight of 979.20 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
PubChem CID135168391
Molecular FormulaC74H46N2O
Molecular Weight979.20 g/mol
Exact Mass978.36
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc6c7ccccc7n-5c46)cc32)cc1
InChIInChI=1S/C74H46N2O/c1-3-18-49(19-4-1)73(50-20-5-2-6-21-50)62-28-12-7-24-56(62)57-41-39-52(45-66(57)73)75(51-37-34-47(35-38-51)48-36-43-71-61(44-48)59-26-11-16-33-70(59)77-71)53-40-42-69-67(46-53)74(63-29-13-8-22-54(63)55-23-9-14-30-64(55)74)65-31-17-27-60-58-25-10-15-32-68(58)76(69)72(60)65/h1-46H
InChIKeyNYRFPICHKAVMTJ-UHFFFAOYSA-N
XLogP18.86
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.20
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135167231
N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine
CID 135181573
N-dibenzofuran-2-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309200
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-[6-[4-[(9,9-diphenylfluoren-2-yl)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylamino]phenyl]dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14(19),15,17-nonaene-13,9'-fluorene]-17-amine
CID 135181305
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine
CID 159975906
16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 90246665
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166459
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135167045
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine (CID 135168391) is N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cccc6c7ccccc7n-5c46)cc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
The InChIKey is NYRFPICHKAVMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2O/c1-3-18-49(19-4-1)73(50-20-5-2-6-21-50)62-28-12-7-24-56(62)57-41-39-52(45-66(57)73)75(51-37-34-47(35-38-51)48-36-43-71-61(44-48)59-26-11-16-33-70(59)77-71)53-40-42-69-67(46-53)74(63-29-13-8-22-54(63)55-23-9-14-30-64(55)74)65-31-17-27-60-58-25-10-15-32-68(58)76(69)72(60)65/h1-46H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine has a molecular weight of 979.20 g/mol, XLogP of 18.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine is sourced from PubChem (CID 135168391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).