9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine

C68H42N2S2 — CID 164960518

IUPAC9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C68H42N2S2/c1-2-18-43(19-3-1)70-61-29-13-6-22-51(61)52-39-36-46(42-62(52)70)69(44-34-37-49-47-20-4-7-23-53(47)67(59(49)40-44)55-25-9-14-30-63(55)71-64-31-15-10-26-56(64)67)45-35-38-50-48-21-5-8-24-54(48)68(60(50)41-45)57-27-11-16-32-65(57)72-66-33-17-12-28-58(66)68/h1-42H
InChIKeyBTURXOKMWQSJNG-UHFFFAOYSA-N
MW951.23 g/mol
LogP17.91
Rot. Bonds4

About 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine

9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine (PubChem CID 164960518) has the molecular formula C68H42N2S2 and a molecular weight of 951.23 g/mol. Its IUPAC name is 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
PubChem CID164960518
Molecular FormulaC68H42N2S2
Molecular Weight951.23 g/mol
Exact Mass950.28
IUPAC Name9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C68H42N2S2/c1-2-18-43(19-3-1)70-61-29-13-6-22-51(61)52-39-36-46(42-62(52)70)69(44-34-37-49-47-20-4-7-23-53(47)67(59(49)40-44)55-25-9-14-30-63(55)71-64-31-15-10-26-56(64)67)45-35-38-50-48-21-5-8-24-54(48)68(60(50)41-45)57-27-11-16-32-65(57)72-66-33-17-12-28-58(66)68/h1-42H
InChIKeyBTURXOKMWQSJNG-UHFFFAOYSA-N
XLogP17.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.23
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473
N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794241
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476470
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine (CID 164960518) is 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine?
The InChIKey is BTURXOKMWQSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2S2/c1-2-18-43(19-3-1)70-61-29-13-6-22-51(61)52-39-36-46(42-62(52)70)69(44-34-37-49-47-20-4-7-23-53(47)67(59(49)40-44)55-25-9-14-30-63(55)71-64-31-15-10-26-56(64)67)45-35-38-50-48-21-5-8-24-54(48)68(60(50)41-45)57-27-11-16-32-65(57)72-66-33-17-12-28-58(66)68/h1-42H.
What are the key properties of 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine?
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine has a molecular weight of 951.23 g/mol, XLogP of 17.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine is sourced from PubChem (CID 164960518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).