11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine

C62H43N — CID 156524620

IUPAC11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2-c2ccc3ccccc3c21
InChIInChI=1S/C62H43N/c1-61(2)54-38-36-44(39-53(54)51-37-33-40-17-6-7-21-46(40)60(51)61)63(42-18-4-3-5-19-42)43-34-31-41(32-35-43)45-20-8-9-22-47(45)50-26-16-30-58-59(50)52-25-12-15-29-57(52)62(58)55-27-13-10-23-48(55)49-24-11-14-28-56(49)62/h3-39H,1-2H3
InChIKeyLQYOEQKKSAEQOR-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.29
Rot. Bonds5

About 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine

11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine (PubChem CID 156524620) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine.

Molecular Properties

Compound Name11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
PubChem CID156524620
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2-c2ccc3ccccc3c21
InChIInChI=1S/C62H43N/c1-61(2)54-38-36-44(39-53(54)51-37-33-40-17-6-7-21-46(40)60(51)61)63(42-18-4-3-5-19-42)43-34-31-41(32-35-43)45-20-8-9-22-47(45)50-26-16-30-58-59(50)52-25-12-15-29-57(52)62(58)55-27-13-10-23-48(55)49-24-11-14-28-56(49)62/h3-39H,1-2H3
InChIKeyLQYOEQKKSAEQOR-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(11,11-dimethylbenzo[a]fluoren-8-yl)-1-N,1-N-diphenyl-3-N-[3-(N-(4-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 146601454
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 156524799
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylphenyl)fluoren-2-amine
CID 130380017
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 139352859
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 164929552
N-(9,9-dimethylfluoren-3-yl)-N-phenylspiro[fluorene-9,9'-hexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene]-4-amine
CID 164845692
9-methyl-N,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 138568382

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine?
The IUPAC name of 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine (CID 156524620) is 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine.
What is the SMILES notation for 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine?
The canonical SMILES for 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine is CC1(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc2-c2ccc3ccccc3c21.
What is the InChIKey of 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine?
The InChIKey is LQYOEQKKSAEQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-61(2)54-38-36-44(39-53(54)51-37-33-40-17-6-7-21-46(40)60(51)61)63(42-18-4-3-5-19-42)43-34-31-41(32-35-43)45-20-8-9-22-47(45)50-26-16-30-58-59(50)52-25-12-15-29-57(52)62(58)55-27-13-10-23-48(55)49-24-11-14-28-56(49)62/h3-39H,1-2H3.
What are the key properties of 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine?
11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine has a molecular weight of 802.03 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine is sourced from PubChem (CID 156524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).