N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine

C76H46N2 — CID 135168879

IUPACN-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)c4ccccc34)cc21
InChIInChI=1S/C76H46N2/c1-2-21-51-47(19-1)20-17-38-70(51)77(49-40-42-58-56-26-7-12-32-64(56)75(69(58)46-49)62-30-10-5-23-53(62)54-24-6-11-31-63(54)75)72-44-43-50(52-22-3-4-27-59(52)72)48-39-41-57-55-25-8-13-33-65(55)76(68(57)45-48)66-34-14-16-37-73(66)78-71-36-15-9-28-60(71)61-29-18-35-67(76)74(61)78/h1-46H
InChIKeyVFUYDGADIHCSLK-UHFFFAOYSA-N
MW987.22 g/mol
LogP19.25
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine

N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 135168879) has the molecular formula C76H46N2 and a molecular weight of 987.22 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID135168879
Molecular FormulaC76H46N2
Molecular Weight987.22 g/mol
Exact Mass986.37
IUPAC NameN-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)c4ccccc34)cc21
InChIInChI=1S/C76H46N2/c1-2-21-51-47(19-1)20-17-38-70(51)77(49-40-42-58-56-26-7-12-32-64(56)75(69(58)46-49)62-30-10-5-23-53(62)54-24-6-11-31-63(54)75)72-44-43-50(52-22-3-4-27-59(52)72)48-39-41-57-55-25-8-13-33-65(55)76(68(57)45-48)66-34-14-16-37-73(66)78-71-36-15-9-28-60(71)61-29-18-35-67(76)74(61)78/h1-46H
InChIKeyVFUYDGADIHCSLK-UHFFFAOYSA-N
XLogP19.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.22
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)-N-(4-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;N-[2-(3-phenylphenyl)phenyl]-N-(4-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)naphthalen-1-amine;N-[2-(3-phenylphenyl)phenyl]-N-(4-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)-9,9'-spirobi[fluorene]-2-amine
CID 161442681
9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-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'-ylnaphthalen-1-yl)fluoren-2-amine
CID 135167159
N-(4-naphthalen-1-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]-4-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'-ylnaphthalen-1-amine;N-[2-(2-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]-4-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'-ylnaphthalen-1-amine;N-phenyl-N-[2-(2-phenylphenyl)phenyl]-4-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'-ylnaphthalen-1-amine
CID 160978527
N-naphthalen-1-yl-N-(6-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'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 135168681
N-[4-[5-[2'-[6-[N-naphthalen-1-yl-2-(4-phenylphenyl)anilino]naphthalen-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl]naphthalen-1-yl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-6-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'-ylnaphthalen-2-amine
CID 155296958
N-naphthalen-1-yl-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)-9,9'-spirobi[fluorene]-4-amine
CID 135168843
N-[4-(4-phenylphenyl)phenyl]-N-(4-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)-9,9'-spirobi[fluorene]-2-amine
CID 135168601
N-[2-(3-phenylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]-4-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'-ylnaphthalen-1-amine
CID 155296963
N-[2-(4-phenylphenyl)phenyl]-N-(4-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)-9,9'-spirobi[fluorene]-2-amine
CID 135166943
N-(4-naphthalen-1-ylphenyl)-N-[2-(3-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]-10-amine;N-naphthalen-1-yl-N-[2-(3-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)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]-10-amine
CID 157356224
N-(4-phenylphenyl)-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 135166479
N-phenyl-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 135167059

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine (CID 135168879) is N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)c4ccccc34)cc21.
What is the InChIKey of N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VFUYDGADIHCSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N2/c1-2-21-51-47(19-1)20-17-38-70(51)77(49-40-42-58-56-26-7-12-32-64(56)75(69(58)46-49)62-30-10-5-23-53(62)54-24-6-11-31-63(54)75)72-44-43-50(52-22-3-4-27-59(52)72)48-39-41-57-55-25-8-13-33-65(55)76(68(57)45-48)66-34-14-16-37-73(66)78-71-36-15-9-28-60(71)61-29-18-35-67(76)74(61)78/h1-46H.
What are the key properties of N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine?
N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 987.22 g/mol, XLogP of 19.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-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'-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 135168879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).