9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine

C68H49N — CID 170117389

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cccc32)c2ccccc21
InChIInChI=1S/C68H49N/c1-67(2)59-35-15-17-37-61(59)68(62-38-18-16-36-60(62)67)58-34-14-12-32-57(58)66-63(68)39-21-41-65(66)69(49-44-42-48(43-45-49)51-33-20-25-47-24-6-7-26-50(47)51)64-40-19-13-31-56(64)55-30-11-10-29-54(55)53-28-9-8-27-52(53)46-22-4-3-5-23-46/h3-45H,1-2H3
InChIKeyKBJBISHDPYWSFS-UHFFFAOYSA-N
MW880.15 g/mol
LogP17.98
Rot. Bonds7

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 170117389) has the molecular formula C68H49N and a molecular weight of 880.15 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID170117389
Molecular FormulaC68H49N
Molecular Weight880.15 g/mol
Exact Mass879.39
IUPAC Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cccc32)c2ccccc21
InChIInChI=1S/C68H49N/c1-67(2)59-35-15-17-37-61(59)68(62-38-18-16-36-60(62)67)58-34-14-12-32-57(58)66-63(68)39-21-41-65(66)69(49-44-42-48(43-45-49)51-33-20-25-47-24-6-7-26-50(47)51)64-40-19-13-31-56(64)55-30-11-10-29-54(55)53-28-9-8-27-52(53)46-22-4-3-5-23-46/h3-45H,1-2H3
InChIKeyKBJBISHDPYWSFS-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.15
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine (CID 170117389) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is KBJBISHDPYWSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N/c1-67(2)59-35-15-17-37-61(59)68(62-38-18-16-36-60(62)67)58-34-14-12-32-57(58)66-63(68)39-21-41-65(66)69(49-44-42-48(43-45-49)51-33-20-25-47-24-6-7-26-50(47)51)64-40-19-13-31-56(64)55-30-11-10-29-54(55)53-28-9-8-27-52(53)46-22-4-3-5-23-46/h3-45H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine?
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 880.15 g/mol, XLogP of 17.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 170117389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).