5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C55H34N2O — CID 118880607

IUPAC5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6Oc6ccccc65)c5ccccc5-7)c4)ccc32)cc1
InChIInChI=1S/C55H34N2O/c1-2-16-37(17-3-1)56-49-25-10-5-20-40(49)43-32-36(29-30-51(43)56)35-15-14-18-38(31-35)57-50-26-11-6-21-41(50)44-33-42-39-19-4-7-22-45(39)55(48(42)34-52(44)57)46-23-8-12-27-53(46)58-54-28-13-9-24-47(54)55/h1-34H
InChIKeyPTXOJCLCBSHGIM-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.02
Rot. Bonds3

About 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 118880607) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID118880607
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6Oc6ccccc65)c5ccccc5-7)c4)ccc32)cc1
InChIInChI=1S/C55H34N2O/c1-2-16-37(17-3-1)56-49-25-10-5-20-40(49)43-32-36(29-30-51(43)56)35-15-14-18-38(31-35)57-50-26-11-6-21-41(50)44-33-42-39-19-4-7-22-45(39)55(48(42)34-52(44)57)46-23-8-12-27-53(46)58-54-28-13-9-24-47(54)55/h1-34H
InChIKeyPTXOJCLCBSHGIM-UHFFFAOYSA-N
XLogP14.02
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 134313263
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 118880607) is 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6Oc6ccccc65)c5ccccc5-7)c4)ccc32)cc1.
What is the InChIKey of 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is PTXOJCLCBSHGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-2-16-37(17-3-1)56-49-25-10-5-20-40(49)43-32-36(29-30-51(43)56)35-15-14-18-38(31-35)57-50-26-11-6-21-41(50)44-33-42-39-19-4-7-22-45(39)55(48(42)34-52(44)57)46-23-8-12-27-53(46)58-54-28-13-9-24-47(54)55/h1-34H.
What are the key properties of 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 738.89 g/mol, XLogP of 14.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118880607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).