5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C55H34N2O — CID 130288373

IUPAC5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6Oc6ccccc65)c5ccccc5-7)cc4)ccc32)cc1
InChIInChI=1S/C55H34N2O/c1-2-14-37(15-3-1)56-49-22-10-5-17-40(49)43-32-36(28-31-51(43)56)35-26-29-38(30-27-35)57-50-23-11-6-18-41(50)44-33-42-39-16-4-7-19-45(39)55(48(42)34-52(44)57)46-20-8-12-24-53(46)58-54-25-13-9-21-47(54)55/h1-34H
InChIKeyHPINXXBCAKBZEJ-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.02
Rot. Bonds3

About 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 130288373) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID130288373
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6Oc6ccccc65)c5ccccc5-7)cc4)ccc32)cc1
InChIInChI=1S/C55H34N2O/c1-2-14-37(15-3-1)56-49-22-10-5-17-40(49)43-32-36(28-31-51(43)56)35-26-29-38(30-27-35)57-50-23-11-6-18-41(50)44-33-42-39-16-4-7-19-45(39)55(48(42)34-52(44)57)46-20-8-12-24-53(46)58-54-25-13-9-21-47(54)55/h1-34H
InChIKeyHPINXXBCAKBZEJ-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-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
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
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 130288373) is 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)C5(c6ccccc6Oc6ccccc65)c5ccccc5-7)cc4)ccc32)cc1.
What is the InChIKey of 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is HPINXXBCAKBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-2-14-37(15-3-1)56-49-22-10-5-17-40(49)43-32-36(28-31-51(43)56)35-26-29-38(30-27-35)57-50-23-11-6-18-41(50)44-33-42-39-16-4-7-19-45(39)55(48(42)34-52(44)57)46-20-8-12-24-53(46)58-54-25-13-9-21-47(54)55/h1-34H.
What are the key properties of 5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-[4-(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-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 130288373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).