3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole

C55H36N2O — CID 171399894

IUPAC3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H36N2O/c1-4-18-37(19-5-1)55(38-20-6-2-7-21-38,39-22-8-3-9-23-39)48-36-41(35-47-45-27-13-17-31-53(45)58-54(47)48)57-51-30-16-12-26-44(51)46-34-40(32-33-52(46)57)56-49-28-14-10-24-42(49)43-25-11-15-29-50(43)56/h1-36H
InChIKeyPCDQXHCVVRBING-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.16
Rot. Bonds6

About 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole

3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole (PubChem CID 171399894) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole
PubChem CID171399894
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC Name3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H36N2O/c1-4-18-37(19-5-1)55(38-20-6-2-7-21-38,39-22-8-3-9-23-39)48-36-41(35-47-45-27-13-17-31-53(45)58-54(47)48)57-51-30-16-12-26-44(51)46-34-40(32-33-52(46)57)56-49-28-14-10-24-42(49)43-25-11-15-29-50(43)56/h1-36H
InChIKeyPCDQXHCVVRBING-UHFFFAOYSA-N
XLogP14.16
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-(3-dibenzofuran-2-yl-5-tritylphenyl)carbazole
CID 162500264
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
27-(9-phenylcarbazol-3-yl)-9,18-dioxa-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 149129476
9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 59399865
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
4-[(3-bromophenyl)-diphenylmethyl]dibenzofuran;3-carbazol-9-yl-9H-carbazole;bis([3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzofuran-4-yl-diphenylsilane)
CID 159563161

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole (CID 171399894) is 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole is c1ccc(C(c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole?
The InChIKey is PCDQXHCVVRBING-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-4-18-37(19-5-1)55(38-20-6-2-7-21-38,39-22-8-3-9-23-39)48-36-41(35-47-45-27-13-17-31-53(45)58-54(47)48)57-51-30-16-12-26-44(51)46-34-40(32-33-52(46)57)56-49-28-14-10-24-42(49)43-25-11-15-29-50(43)56/h1-36H.
What are the key properties of 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole?
3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole has a molecular weight of 740.91 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 171399894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).