9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole

C74H48N2S2 — CID 58879553

IUPAC9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole
SMILESCc1cc2c(cc1C)[C@@]1(c3cc(-c4ccc5c(c4)[C@]4(c6cc(-n7c8ccccc8c8ccccc87)ccc6-5)c5cc(C)c(C)cc5-c5ccsc54)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc31)c1sccc1-2
InChIInChI=1S/C74H48N2S2/c1-41-33-59-57-29-31-77-71(57)73(61(59)35-43(41)3)63-37-45(21-25-49(63)51-27-23-47(39-65(51)73)75-67-17-9-5-13-53(67)54-14-6-10-18-68(54)75)46-22-26-50-52-28-24-48(76-69-19-11-7-15-55(69)56-16-8-12-20-70(56)76)40-66(52)74(64(50)38-46)62-36-44(4)42(2)34-60(62)58-30-32-78-72(58)74/h5-40H,1-4H3/t73-,74-/m0/s1
InChIKeyJKPBYIDISMKHOU-VIATZPACSA-N
MW1029.35 g/mol
LogP19.59
Rot. Bonds3

About 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole

9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole (PubChem CID 58879553) has the molecular formula C74H48N2S2 and a molecular weight of 1029.35 g/mol. Its IUPAC name is 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole.

Molecular Properties

Compound Name9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole
PubChem CID58879553
Molecular FormulaC74H48N2S2
Molecular Weight1029.35 g/mol
Exact Mass1028.33
IUPAC Name9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole
SMILESCc1cc2c(cc1C)[C@@]1(c3cc(-c4ccc5c(c4)[C@]4(c6cc(-n7c8ccccc8c8ccccc87)ccc6-5)c5cc(C)c(C)cc5-c5ccsc54)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc31)c1sccc1-2
InChIInChI=1S/C74H48N2S2/c1-41-33-59-57-29-31-77-71(57)73(61(59)35-43(41)3)63-37-45(21-25-49(63)51-27-23-47(39-65(51)73)75-67-17-9-5-13-53(67)54-14-6-10-18-68(54)75)46-22-26-50-52-28-24-48(76-69-19-11-7-15-55(69)56-16-8-12-20-70(56)76)40-66(52)74(64(50)38-46)62-36-44(4)42(2)34-60(62)58-30-32-78-72(58)74/h5-40H,1-4H3/t73-,74-/m0/s1
InChIKeyJKPBYIDISMKHOU-VIATZPACSA-N
XLogP19.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.35
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole?
The IUPAC name of 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole (CID 58879553) is 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole.
What is the SMILES notation for 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole?
The canonical SMILES for 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole is Cc1cc2c(cc1C)[C@@]1(c3cc(-c4ccc5c(c4)[C@]4(c6cc(-n7c8ccccc8c8ccccc87)ccc6-5)c5cc(C)c(C)cc5-c5ccsc54)ccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc31)c1sccc1-2.
What is the InChIKey of 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole?
The InChIKey is JKPBYIDISMKHOU-VIATZPACSA-N. The full InChI is InChI=1S/C74H48N2S2/c1-41-33-59-57-29-31-77-71(57)73(61(59)35-43(41)3)63-37-45(21-25-49(63)51-27-23-47(39-65(51)73)75-67-17-9-5-13-53(67)54-14-6-10-18-68(54)75)46-22-26-50-52-28-24-48(76-69-19-11-7-15-55(69)56-16-8-12-20-70(56)76)40-66(52)74(64(50)38-46)62-36-44(4)42(2)34-60(62)58-30-32-78-72(58)74/h5-40H,1-4H3/t73-,74-/m0/s1.
What are the key properties of 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole?
9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole has a molecular weight of 1029.35 g/mol, XLogP of 19.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(9R)-7-[(9R)-7-carbazol-9-yl-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]-2-yl]carbazole is sourced from PubChem (CID 58879553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).