N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine

C54H35NS — CID 164793910

IUPACN-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
SMILESc1ccc(C2c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)cc32)cc1
InChIInChI=1S/C54H35NS/c1-3-15-35(16-4-1)52-43-23-8-7-21-40(43)41-31-29-38(33-45(41)52)55(37-19-5-2-6-20-37)39-30-32-48-51(34-39)56-50-28-12-11-26-47(50)54(48)46-25-10-9-22-42(46)44-24-13-17-36-18-14-27-49(54)53(36)44/h1-34,52H
InChIKeyIOPWYIOATPQLCO-UHFFFAOYSA-N
MW729.95 g/mol
LogP14.30
Rot. Bonds4

About N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine

N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine (PubChem CID 164793910) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine.

Molecular Properties

Compound NameN-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
PubChem CID164793910
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
SMILESc1ccc(C2c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)cc32)cc1
InChIInChI=1S/C54H35NS/c1-3-15-35(16-4-1)52-43-23-8-7-21-40(43)41-31-29-38(33-45(41)52)55(37-19-5-2-6-20-37)39-30-32-48-51(34-39)56-50-28-12-11-26-47(50)54(48)46-25-10-9-22-42(46)44-24-13-17-36-18-14-27-49(54)53(36)44/h1-34,52H
InChIKeyIOPWYIOATPQLCO-UHFFFAOYSA-N
XLogP14.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[9-(2-phenylphenyl)-9H-fluoren-2-yl]spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
CID 164794064
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794037
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794740
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
CID 164794491
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164793862
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-2'-amine
CID 166934032
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine?
The IUPAC name of N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine (CID 164793910) is N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine.
What is the SMILES notation for N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine?
The canonical SMILES for N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine is c1ccc(C2c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)cc32)cc1.
What is the InChIKey of N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine?
The InChIKey is IOPWYIOATPQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-3-15-35(16-4-1)52-43-23-8-7-21-40(43)41-31-29-38(33-45(41)52)55(37-19-5-2-6-20-37)39-30-32-48-51(34-39)56-50-28-12-11-26-47(50)54(48)46-25-10-9-22-42(46)44-24-13-17-36-18-14-27-49(54)53(36)44/h1-34,52H.
What are the key properties of N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine?
N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine has a molecular weight of 729.95 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(9-phenyl-9H-fluoren-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine is sourced from PubChem (CID 164793910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).