N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

C59H45N — CID 156826876

IUPACN-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)C4(C)CC=CC=C54)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C59H45N/c1-57(2)51-23-10-7-20-46(51)49-34-32-45(38-55(49)57)60(44-19-15-18-41(36-44)39-16-5-4-6-17-39)43-30-27-40(28-31-43)42-29-33-50-52-24-13-14-35-58(52,3)59(56(50)37-42)53-25-11-8-21-47(53)48-22-9-12-26-54(48)59/h4-34,36-38H,35H2,1-3H3
InChIKeyRRLSDVCKJBDTIV-UHFFFAOYSA-N
MW768.02 g/mol
LogP15.47
Rot. Bonds5

About N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 156826876) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
PubChem CID156826876
Molecular FormulaC59H45N
Molecular Weight768.02 g/mol
Exact Mass767.36
IUPAC NameN-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)C4(C)CC=CC=C54)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C59H45N/c1-57(2)51-23-10-7-20-46(51)49-34-32-45(38-55(49)57)60(44-19-15-18-41(36-44)39-16-5-4-6-17-39)43-30-27-40(28-31-43)42-29-33-50-52-24-13-14-35-58(52,3)59(56(50)37-42)53-25-11-8-21-47(53)48-22-9-12-26-54(48)59/h4-34,36-38H,35H2,1-3H3
InChIKeyRRLSDVCKJBDTIV-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.02
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633

Frequently Asked Questions

What is the IUPAC name of N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (CID 156826876) is N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)C4(C)CC=CC=C54)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
The InChIKey is RRLSDVCKJBDTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-57(2)51-23-10-7-20-46(51)49-34-32-45(38-55(49)57)60(44-19-15-18-41(36-44)39-16-5-4-6-17-39)43-30-27-40(28-31-43)42-29-33-50-52-24-13-14-35-58(52,3)59(56(50)37-42)53-25-11-8-21-47(53)48-22-9-12-26-54(48)59/h4-34,36-38H,35H2,1-3H3.
What are the key properties of N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?
N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 768.02 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8a-methylspiro[8H-fluorene-9,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 156826876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).