9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine

C68H42N2OS — CID 138477473

IUPAC9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/C68H42N2OS/c1-2-18-43(19-3-1)70-61-29-13-6-22-49(61)50-37-34-46(42-62(50)70)69(44-35-38-55-51(40-44)47-20-4-7-23-53(47)67(55)57-25-9-14-30-63(57)71-64-31-15-10-26-58(64)67)45-36-39-56-52(41-45)48-21-5-8-24-54(48)68(56)59-27-11-16-32-65(59)72-66-33-17-12-28-60(66)68/h1-42H
InChIKeyKTSFYTMMIZYGOO-UHFFFAOYSA-N
MW935.16 g/mol
LogP17.55
Rot. Bonds4

About 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine

9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine (PubChem CID 138477473) has the molecular formula C68H42N2OS and a molecular weight of 935.16 g/mol. Its IUPAC name is 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
PubChem CID138477473
Molecular FormulaC68H42N2OS
Molecular Weight935.16 g/mol
Exact Mass934.30
IUPAC Name9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc32)cc1
InChIInChI=1S/C68H42N2OS/c1-2-18-43(19-3-1)70-61-29-13-6-22-49(61)50-37-34-46(42-62(50)70)69(44-35-38-55-51(40-44)47-20-4-7-23-53(47)67(55)57-25-9-14-30-63(57)71-64-31-15-10-26-58(64)67)45-36-39-56-52(41-45)48-21-5-8-24-54(48)68(56)59-27-11-16-32-65(59)72-66-33-17-12-28-60(66)68/h1-42H
InChIKeyKTSFYTMMIZYGOO-UHFFFAOYSA-N
XLogP17.55
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.16
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
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,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 165027875
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164793862
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060
N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine?
The IUPAC name of 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine (CID 138477473) is 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc32)cc1.
What is the InChIKey of 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine?
The InChIKey is KTSFYTMMIZYGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2OS/c1-2-18-43(19-3-1)70-61-29-13-6-22-49(61)50-37-34-46(42-62(50)70)69(44-35-38-55-51(40-44)47-20-4-7-23-53(47)67(55)57-25-9-14-30-63(57)71-64-31-15-10-26-58(64)67)45-36-39-56-52(41-45)48-21-5-8-24-54(48)68(56)59-27-11-16-32-65(59)72-66-33-17-12-28-60(66)68/h1-42H.
What are the key properties of 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine?
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine has a molecular weight of 935.16 g/mol, XLogP of 17.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine is sourced from PubChem (CID 138477473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).