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

C60H41N — CID 168811965

IUPACN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5ccccc5)c5cccc3c45)c3cccc4ccccc34)ccc21
InChIInChI=1S/C60H41N/c1-59(2)51-25-11-8-23-46(51)50-36-40(31-35-52(50)59)61(57-29-14-19-39-18-6-7-20-43(39)57)41-30-32-47-44-21-9-12-26-53(44)60(56(47)37-41)54-27-13-10-22-45(54)49-34-33-42(38-16-4-3-5-17-38)48-24-15-28-55(60)58(48)49/h3-37H,1-2H3
InChIKeySYBPJCPDSQKWFU-UHFFFAOYSA-N
MW776.00 g/mol
LogP15.78
Rot. Bonds4

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

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168811965) 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-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168811965
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5ccccc5)c5cccc3c45)c3cccc4ccccc34)ccc21
InChIInChI=1S/C60H41N/c1-59(2)51-25-11-8-23-46(51)50-36-40(31-35-52(50)59)61(57-29-14-19-39-18-6-7-20-43(39)57)41-30-32-47-44-21-9-12-26-53(44)60(56(47)37-41)54-27-13-10-22-45(54)49-34-33-42(38-16-4-3-5-17-38)48-24-15-28-55(60)58(48)49/h3-37H,1-2H3
InChIKeySYBPJCPDSQKWFU-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-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812204
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
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
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
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)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
9,9-dimethyl-N-naphthalen-1-yl-N-[4-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]fluoren-2-amine
CID 169292946
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168811965) is N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-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-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5ccccc5)c5cccc3c45)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is SYBPJCPDSQKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-59(2)51-25-11-8-23-46(51)50-36-40(31-35-52(50)59)61(57-29-14-19-39-18-6-7-20-43(39)57)41-30-32-47-44-21-9-12-26-53(44)60(56(47)37-41)54-27-13-10-22-45(54)49-34-33-42(38-16-4-3-5-17-38)48-24-15-28-55(60)58(48)49/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-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-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168811965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).