5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole

C55H32N2S — CID 90057155

IUPAC5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C55H32N2S/c1-2-14-33(15-3-1)56-50-30-34(57-48-24-12-7-20-41(48)53-49(57)29-28-40-39-19-8-13-25-52(39)58-54(40)53)26-27-38(50)43-31-42-37-18-6-11-23-46(37)55(47(42)32-51(43)56)44-21-9-4-16-35(44)36-17-5-10-22-45(36)55/h1-32H
InChIKeyDFANHJPMOWWKPQ-UHFFFAOYSA-N
MW752.94 g/mol
LogP14.59
Rot. Bonds2

About 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole

5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 90057155) has the molecular formula C55H32N2S and a molecular weight of 752.94 g/mol. Its IUPAC name is 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID90057155
Molecular FormulaC55H32N2S
Molecular Weight752.94 g/mol
Exact Mass752.23
IUPAC Name5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C55H32N2S/c1-2-14-33(15-3-1)56-50-30-34(57-48-24-12-7-20-41(48)53-49(57)29-28-40-39-19-8-13-25-52(39)58-54(40)53)26-27-38(50)43-31-42-37-18-6-11-23-46(37)55(47(42)32-51(43)56)44-21-9-4-16-35(44)36-17-5-10-22-45(36)55/h1-32H
InChIKeyDFANHJPMOWWKPQ-UHFFFAOYSA-N
XLogP14.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.94
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
CID 159973440
CID 159973440
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 87059766
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
15,19-bis(3-phenylphenyl)-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 161144131
5-[6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-1-yl)-3-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 90057304
6,24-bis(9-phenylcarbazol-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736429
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
CID 157397756
CID 157397756
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 118391181

Frequently Asked Questions

What is the IUPAC name of 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole (CID 90057155) is 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-n2c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3c3cc4c(cc32)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is DFANHJPMOWWKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N2S/c1-2-14-33(15-3-1)56-50-30-34(57-48-24-12-7-20-41(48)53-49(57)29-28-40-39-19-8-13-25-52(39)58-54(40)53)26-27-38(50)43-31-42-37-18-6-11-23-46(37)55(47(42)32-51(43)56)44-21-9-4-16-35(44)36-17-5-10-22-45(36)55/h1-32H.
What are the key properties of 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 752.94 g/mol, XLogP of 14.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 90057155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).