N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

C56H41N — CID 168812101

IUPACN-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCCc1ccc2cccc3c2c1C1(c2ccccc2-c2ccc(N(c4ccc5ccccc5c4)c4cccc5c4C(C)(C)c4ccccc4-5)cc21)c1ccccc1-3
InChIInChI=1S/C56H41N/c1-4-35-27-28-37-17-13-21-45-42-19-9-12-25-49(42)56(53(35)52(37)45)48-24-11-8-18-41(48)44-32-31-40(34-50(44)56)57(39-30-29-36-15-5-6-16-38(36)33-39)51-26-14-22-46-43-20-7-10-23-47(43)55(2,3)54(46)51/h5-34H,4H2,1-3H3
InChIKeyRIGJRCAFJRUIBR-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.68
Rot. Bonds4

About N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168812101) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168812101
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCCc1ccc2cccc3c2c1C1(c2ccccc2-c2ccc(N(c4ccc5ccccc5c4)c4cccc5c4C(C)(C)c4ccccc4-5)cc21)c1ccccc1-3
InChIInChI=1S/C56H41N/c1-4-35-27-28-37-17-13-21-45-42-19-9-12-25-49(42)56(53(35)52(37)45)48-24-11-8-18-41(48)44-32-31-40(34-50(44)56)57(39-30-29-36-15-5-6-16-38(36)33-39)51-26-14-22-46-43-20-7-10-23-47(43)55(2,3)54(46)51/h5-34H,4H2,1-3H3
InChIKeyRIGJRCAFJRUIBR-UHFFFAOYSA-N
XLogP14.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811969
N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yldibenzothiophen-1-amine
CID 168812161
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
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 158384191
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 135271123
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[3-ethyl-4-(2-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 146542310
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 159322510
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168812101) is N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is CCc1ccc2cccc3c2c1C1(c2ccccc2-c2ccc(N(c4ccc5ccccc5c4)c4cccc5c4C(C)(C)c4ccccc4-5)cc21)c1ccccc1-3.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is RIGJRCAFJRUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-4-35-27-28-37-17-13-21-45-42-19-9-12-25-49(42)56(53(35)52(37)45)48-24-11-8-18-41(48)44-32-31-40(34-50(44)56)57(39-30-29-36-15-5-6-16-38(36)33-39)51-26-14-22-46-43-20-7-10-23-47(43)55(2,3)54(46)51/h5-34H,4H2,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 727.95 g/mol, XLogP of 14.68, 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-1-yl)-6-ethyl-N-naphthalen-2-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168812101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).