N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine

C54H41N — CID 142480618

IUPACN-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCN(c1ccc2c(c1)-c1ccccc1C21c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H41N/c1-52(2)44-24-12-10-22-40(44)42-32-30-39(35-51(42)52)55(3)38-31-33-46-43(34-38)41-23-11-13-25-45(41)54(46)49-28-16-14-26-47(49)53(36-18-6-4-7-19-36,37-20-8-5-9-21-37)48-27-15-17-29-50(48)54/h4-35H,1-3H3
InChIKeyHWUJLNQUQAOPOG-UHFFFAOYSA-N
MW703.93 g/mol
LogP12.82
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 142480618) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID142480618
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCN(c1ccc2c(c1)-c1ccccc1C21c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C54H41N/c1-52(2)44-24-12-10-22-40(44)42-32-30-39(35-51(42)52)55(3)38-31-33-46-43(34-38)41-23-11-13-25-45(41)54(46)49-28-16-14-26-47(49)53(36-18-6-4-7-19-36,37-20-8-5-9-21-37)48-27-15-17-29-50(48)54/h4-35H,1-3H3
InChIKeyHWUJLNQUQAOPOG-UHFFFAOYSA-N
XLogP12.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391816
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481221

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine (CID 142480618) is N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine is CN(c1ccc2c(c1)-c1ccccc1C21c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is HWUJLNQUQAOPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-52(2)44-24-12-10-22-40(44)42-32-30-39(35-51(42)52)55(3)38-31-33-46-43(34-38)41-23-11-13-25-45(41)54(46)49-28-16-14-26-47(49)53(36-18-6-4-7-19-36,37-20-8-5-9-21-37)48-27-15-17-29-50(48)54/h4-35H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine has a molecular weight of 703.93 g/mol, XLogP of 12.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 142480618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).