7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole

C49H30N2S — CID 146333777

IUPAC7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6c5C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4cc32)cc1
InChIInChI=1S/C49H30N2S/c1-2-15-31(16-3-1)50-41-24-10-5-18-33(41)36-29-37-34-19-6-11-25-42(34)51(45(37)30-44(36)50)43-26-14-20-35-32-17-4-7-21-38(32)49(48(35)43)39-22-8-12-27-46(39)52-47-28-13-9-23-40(47)49/h1-30H
InChIKeyQNHZACXKAHROFH-UHFFFAOYSA-N
MW678.86 g/mol
LogP12.71
Rot. Bonds2

About 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole

7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole (PubChem CID 146333777) has the molecular formula C49H30N2S and a molecular weight of 678.86 g/mol. Its IUPAC name is 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole
PubChem CID146333777
Molecular FormulaC49H30N2S
Molecular Weight678.86 g/mol
Exact Mass678.21
IUPAC Name7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6c5C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4cc32)cc1
InChIInChI=1S/C49H30N2S/c1-2-15-31(16-3-1)50-41-24-10-5-18-33(41)36-29-37-34-19-6-11-25-42(34)51(45(37)30-44(36)50)43-26-14-20-35-32-17-4-7-21-38(32)49(48(35)43)39-22-8-12-27-46(39)52-47-28-13-9-23-40(47)49/h1-30H
InChIKeyQNHZACXKAHROFH-UHFFFAOYSA-N
XLogP12.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1-amine
CID 146333559
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-phenyl-5-(3-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)indeno[1,2-c]carbazol-2-amine;7,7-dimethyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindeno[2,1-b]carbazole;7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole;9-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)carbazole
CID 158558641
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-phenyl-3-(5'-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698364
9-phenyl-3-(1-phenyl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole
CID 118698293
9-phenyl-1-(6-phenyl-9,9'-spirobi[thioxanthene]-1-yl)carbazole
CID 118698352
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-thioxanthene]
CID 177278342
9-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylcarbazol-2-amine
CID 138477473

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole (CID 146333777) is 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6c5C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4cc32)cc1.
What is the InChIKey of 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole?
The InChIKey is QNHZACXKAHROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S/c1-2-15-31(16-3-1)50-41-24-10-5-18-33(41)36-29-37-34-19-6-11-25-42(34)51(45(37)30-44(36)50)43-26-14-20-35-32-17-4-7-21-38(32)49(48(35)43)39-22-8-12-27-46(39)52-47-28-13-9-23-40(47)49/h1-30H.
What are the key properties of 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole?
7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole has a molecular weight of 678.86 g/mol, XLogP of 12.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-spiro[fluorene-9,9'-thioxanthene]-1-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 146333777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).