10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine

C68H44N2 — CID 135168804

IUPAC10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C68H44N2/c1-3-20-45(21-4-1)46-38-40-48(41-39-46)69(65-37-19-34-61-66(65)54-27-10-14-31-58(54)67(61)55-28-11-7-24-50(55)51-25-8-12-29-56(51)67)49-42-43-53-52-26-9-13-30-57(52)68(62(53)44-49)59-32-15-17-35-63(59)70(47-22-5-2-6-23-47)64-36-18-16-33-60(64)68/h1-44H
InChIKeyNNQPEBJCBMZYKP-UHFFFAOYSA-N
MW889.11 g/mol
LogP17.31
Rot. Bonds5

About 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine

10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135168804) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID135168804
Molecular FormulaC68H44N2
Molecular Weight889.11 g/mol
Exact Mass888.35
IUPAC Name10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C68H44N2/c1-3-20-45(21-4-1)46-38-40-48(41-39-46)69(65-37-19-34-61-66(65)54-27-10-14-31-58(54)67(61)55-28-11-7-24-50(55)51-25-8-12-29-56(51)67)49-42-43-53-52-26-9-13-30-57(52)68(62(53)44-49)59-32-15-17-35-63(59)70(47-22-5-2-6-23-47)64-36-18-16-33-60(64)68/h1-44H
InChIKeyNNQPEBJCBMZYKP-UHFFFAOYSA-N
XLogP17.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
N,10-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168805
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N-(9,9-diphenylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135168780
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168927
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161150146
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 157340492
10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
10-phenyl-N,N-bis[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166634
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166608

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine (CID 135168804) is 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is NNQPEBJCBMZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-3-20-45(21-4-1)46-38-40-48(41-39-46)69(65-37-19-34-61-66(65)54-27-10-14-31-58(54)67(61)55-28-11-7-24-50(55)51-25-8-12-29-56(51)67)49-42-43-53-52-26-9-13-30-57(52)68(62(53)44-49)59-32-15-17-35-63(59)70(47-22-5-2-6-23-47)64-36-18-16-33-60(64)68/h1-44H.
What are the key properties of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine?
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 889.11 g/mol, XLogP of 17.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135168804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).