N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

C60H41N — CID 168812204

IUPACN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5cccc6cccc3c56)c3cccc(-c5ccccc5)c3-4)c3cccc4ccccc34)ccc21
InChIInChI=1S/C60H41N/c1-59(2)50-27-10-8-24-46(50)49-36-41(33-35-51(49)59)61(56-31-14-19-38-18-6-7-22-43(38)56)42-32-34-48-55(37-42)60(54-30-15-25-44(58(48)54)39-16-4-3-5-17-39)52-28-11-9-23-45(52)47-26-12-20-40-21-13-29-53(60)57(40)47/h3-37H,1-2H3
InChIKeyFBJJGSBMYXGOJV-UHFFFAOYSA-N
MW776.00 g/mol
LogP15.78
Rot. Bonds4

About N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168812204) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168812204
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5cccc6cccc3c56)c3cccc(-c5ccccc5)c3-4)c3cccc4ccccc34)ccc21
InChIInChI=1S/C60H41N/c1-59(2)50-27-10-8-24-46(50)49-36-41(33-35-51(49)59)61(56-31-14-19-38-18-6-7-22-43(38)56)42-32-34-48-55(37-42)60(54-30-15-25-44(58(48)54)39-16-4-3-5-17-39)52-28-11-9-23-45(52)47-26-12-20-40-21-13-29-53(60)57(40)47/h3-37H,1-2H3
InChIKeyFBJJGSBMYXGOJV-UHFFFAOYSA-N
XLogP15.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811965
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085
N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
CID 168811954
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-4'-phenyl-9,9'-spirobi[fluorene]-1-amine
CID 129258882
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
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-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-4-yl)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]-2'-amine
CID 135229631
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168812204) is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-c5cccc6cccc3c56)c3cccc(-c5ccccc5)c3-4)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is FBJJGSBMYXGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-59(2)50-27-10-8-24-46(50)49-36-41(33-35-51(49)59)61(56-31-14-19-38-18-6-7-22-43(38)56)42-32-34-48-55(37-42)60(54-30-15-25-44(58(48)54)39-16-4-3-5-17-39)52-28-11-9-23-45(52)47-26-12-20-40-21-13-29-53(60)57(40)47/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 776.00 g/mol, XLogP of 15.78, 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-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168812204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).