N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C75H49N3 — CID 138655650

IUPACN-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(N3c4ccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6cccc7ccccc67)cc5)cc4-c4cccc5cccc3c45)cc2)cc1
InChIInChI=1S/C75H49N3/c1-3-22-54(23-4-1)76(55-24-5-2-6-25-55)56-41-43-58(44-42-56)78-72-47-38-53(48-66(72)65-30-15-20-52-21-17-35-73(78)74(52)65)50-36-39-57(40-37-50)77(71-34-16-19-51-18-7-8-26-60(51)71)59-45-46-64-63-29-11-14-33-69(63)75(70(64)49-59)67-31-12-9-27-61(67)62-28-10-13-32-68(62)75/h1-49H
InChIKeyCENSMIRZXJULTR-UHFFFAOYSA-N
MW992.24 g/mol
LogP20.39
Rot. Bonds8

About N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 138655650) has the molecular formula C75H49N3 and a molecular weight of 992.24 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID138655650
Molecular FormulaC75H49N3
Molecular Weight992.24 g/mol
Exact Mass991.39
IUPAC NameN-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(N3c4ccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6cccc7ccccc67)cc5)cc4-c4cccc5cccc3c45)cc2)cc1
InChIInChI=1S/C75H49N3/c1-3-22-54(23-4-1)76(55-24-5-2-6-25-55)56-41-43-58(44-42-56)78-72-47-38-53(48-66(72)65-30-15-20-52-21-17-35-73(78)74(52)65)50-36-39-57(40-37-50)77(71-34-16-19-51-18-7-8-26-60(51)71)59-45-46-64-63-29-11-14-33-69(63)75(70(64)49-59)67-31-12-9-27-61(67)62-28-10-13-32-68(62)75/h1-49H
InChIKeyCENSMIRZXJULTR-UHFFFAOYSA-N
XLogP20.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.24
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]fluoren-2-amine
CID 129133864
N-[4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 129133908
4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)-N,N-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,2-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,3-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,4-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,3,5-triphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 161454722
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 129133919
N-[4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118632210
N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129092415
N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 138655498
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-naphthalen-1-yl-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;10-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-2'-amine
CID 159280881
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-[4-[4-(8-naphthalen-1-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118532737
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 138655650) is N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccccc2)c2ccc(N3c4ccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6cccc7ccccc67)cc5)cc4-c4cccc5cccc3c45)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is CENSMIRZXJULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N3/c1-3-22-54(23-4-1)76(55-24-5-2-6-25-55)56-41-43-58(44-42-56)78-72-47-38-53(48-66(72)65-30-15-20-52-21-17-35-73(78)74(52)65)50-36-39-57(40-37-50)77(71-34-16-19-51-18-7-8-26-60(51)71)59-45-46-64-63-29-11-14-33-69(63)75(70(64)49-59)67-31-12-9-27-61(67)62-28-10-13-32-68(62)75/h1-49H.
What are the key properties of N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 992.24 g/mol, XLogP of 20.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 138655650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).