9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole

C50H30N2O — CID 130232168

IUPAC9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6ccn(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5)ccc43)cc12
InChIInChI=1S/C50H30N2O/c1-2-11-38-36(9-1)37-10-3-4-12-39(37)43-29-34(20-22-40(38)43)51-26-25-31-17-18-33(28-48(31)51)32-19-23-47-44(27-32)41-13-5-7-15-46(41)52(47)35-21-24-50-45(30-35)42-14-6-8-16-49(42)53-50/h1-30H
InChIKeyKGNZWRSJTLRFNX-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.75
Rot. Bonds3

About 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole

9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole (PubChem CID 130232168) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
PubChem CID130232168
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6ccn(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5)ccc43)cc12
InChIInChI=1S/C50H30N2O/c1-2-11-38-36(9-1)37-10-3-4-12-39(37)43-29-34(20-22-40(38)43)51-26-25-31-17-18-33(28-48(31)51)32-19-23-47-44(27-32)41-13-5-7-15-46(41)52(47)35-21-24-50-45(30-35)42-14-6-8-16-49(42)53-50/h1-30H
InChIKeyKGNZWRSJTLRFNX-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130233155
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
CID 154600343
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole (CID 130232168) is 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole is c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4cc(-c5ccc6ccn(-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5)ccc43)cc12.
What is the InChIKey of 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
The InChIKey is KGNZWRSJTLRFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-11-38-36(9-1)37-10-3-4-12-39(37)43-29-34(20-22-40(38)43)51-26-25-31-17-18-33(28-48(31)51)32-19-23-47-44(27-32)41-13-5-7-15-46(41)52(47)35-21-24-50-45(30-35)42-14-6-8-16-49(42)53-50/h1-30H.
What are the key properties of 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole?
9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole has a molecular weight of 674.80 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole is sourced from PubChem (CID 130232168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).