1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole

C55H35NO2 — CID 118698619

IUPAC1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2-c2ccccc2)C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c5ccccc5n(-c5ccccc5)c24)O3)cc1
InChIInChI=1S/C55H35NO2/c1-4-18-36(19-5-1)39-34-35-50-53(51(39)37-20-6-2-7-21-37)55(44-28-11-14-31-47(44)57-48-32-15-12-29-45(48)55)52-41(25-17-33-49(52)58-50)43-27-16-26-42-40-24-10-13-30-46(40)56(54(42)43)38-22-8-3-9-23-38/h1-35H
InChIKeySQOOLRQNQLDCJG-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.38
Rot. Bonds4

About 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole

1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole (PubChem CID 118698619) has the molecular formula C55H35NO2 and a molecular weight of 741.89 g/mol. Its IUPAC name is 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
PubChem CID118698619
Molecular FormulaC55H35NO2
Molecular Weight741.89 g/mol
Exact Mass741.27
IUPAC Name1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2-c2ccccc2)C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c5ccccc5n(-c5ccccc5)c24)O3)cc1
InChIInChI=1S/C55H35NO2/c1-4-18-36(19-5-1)39-34-35-50-53(51(39)37-20-6-2-7-21-37)55(44-28-11-14-31-47(44)57-48-32-15-12-29-45(48)55)52-41(25-17-33-49(52)58-50)43-27-16-26-42-40-24-10-13-30-46(40)56(54(42)43)38-22-8-3-9-23-38/h1-35H
InChIKeySQOOLRQNQLDCJG-UHFFFAOYSA-N
XLogP14.38
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 118698167
9-phenyl-1-(1'-phenyl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-1-(2-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole
CID 157405782
9-phenyl-1-(1-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-1-(2'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole
CID 160615225
1-(1',4'-diphenyl-9,9'-spirobi[thioxanthene]-1-yl)-9-phenylcarbazole
CID 118698639
9-phenyl-1-(2-phenylspiro[3,4-dihydroxanthene-9,9'-xanthene]-4'-yl)carbazole
CID 118860963
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
9-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-1-amine
CID 169305047
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
CID 129133135
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605

Frequently Asked Questions

What is the IUPAC name of 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole?
The IUPAC name of 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole (CID 118698619) is 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole?
The canonical SMILES for 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole is c1ccc(-c2ccc3c(c2-c2ccccc2)C2(c4ccccc4Oc4ccccc42)c2c(cccc2-c2cccc4c5ccccc5n(-c5ccccc5)c24)O3)cc1.
What is the InChIKey of 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole?
The InChIKey is SQOOLRQNQLDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2/c1-4-18-36(19-5-1)39-34-35-50-53(51(39)37-20-6-2-7-21-37)55(44-28-11-14-31-47(44)57-48-32-15-12-29-45(48)55)52-41(25-17-33-49(52)58-50)43-27-16-26-42-40-24-10-13-30-46(40)56(54(42)43)38-22-8-3-9-23-38/h1-35H.
What are the key properties of 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole?
1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole has a molecular weight of 741.89 g/mol, XLogP of 14.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7',8'-diphenyl-9,9'-spirobi[xanthene]-1'-yl)-9-phenylcarbazole is sourced from PubChem (CID 118698619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).