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

C56H39N — CID 168811963

IUPACN-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5ccccc5)c5cccc3c45)ccc21
InChIInChI=1S/C56H39N/c1-55(2)48-24-12-9-22-43(48)47-34-38(29-33-49(47)55)57(37-18-7-4-8-19-37)39-28-30-44-41-20-10-13-25-50(41)56(53(44)35-39)51-26-14-11-21-42(51)46-32-31-40(36-16-5-3-6-17-36)45-23-15-27-52(56)54(45)46/h3-35H,1-2H3
InChIKeyIEXXAWUAOIXKFI-UHFFFAOYSA-N
MW725.94 g/mol
LogP14.63
Rot. Bonds4

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

N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168811963) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168811963
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5ccccc5)c5cccc3c45)ccc21
InChIInChI=1S/C56H39N/c1-55(2)48-24-12-9-22-43(48)47-34-38(29-33-49(47)55)57(37-18-7-4-8-19-37)39-28-30-44-41-20-10-13-25-50(41)56(53(44)35-39)51-26-14-11-21-42(51)46-32-31-40(36-16-5-3-6-17-36)45-23-15-27-52(56)54(45)46/h3-35H,1-2H3
InChIKeyIEXXAWUAOIXKFI-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 514.63
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-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372874
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
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-dimethylfluoren-3-yl)-N-naphthalen-1-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812204
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168811963) is N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5ccccc5)c5cccc3c45)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is IEXXAWUAOIXKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-55(2)48-24-12-9-22-43(48)47-34-38(29-33-49(47)55)57(37-18-7-4-8-19-37)39-28-30-44-41-20-10-13-25-50(41)56(53(44)35-39)51-26-14-11-21-42(51)46-32-31-40(36-16-5-3-6-17-36)45-23-15-27-52(56)54(45)46/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 725.94 g/mol, XLogP of 14.63, 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,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168811963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).