3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole

C44H30N2O3 — CID 70658940

IUPAC3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole
SMILESCOc1ccc2c(c1)c1cc(-c3ccc4c5cc(OC)ccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C44H30N2O3/c1-47-31-15-20-40-37(25-31)33-17-12-28(23-42(33)46(40)30-14-18-35-34-10-6-7-11-43(34)49-44(35)24-30)27-13-19-39-36(22-27)38-26-32(48-2)16-21-41(38)45(39)29-8-4-3-5-9-29/h3-26H,1-2H3
InChIKeyVNVGJWWZXNWBSO-UHFFFAOYSA-N
MW634.74 g/mol
LogP11.46
Rot. Bonds5

About 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole

3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole (PubChem CID 70658940) has the molecular formula C44H30N2O3 and a molecular weight of 634.74 g/mol. Its IUPAC name is 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole
PubChem CID70658940
Molecular FormulaC44H30N2O3
Molecular Weight634.74 g/mol
Exact Mass634.23
IUPAC Name3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole
SMILESCOc1ccc2c(c1)c1cc(-c3ccc4c5cc(OC)ccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C44H30N2O3/c1-47-31-15-20-40-37(25-31)33-17-12-28(23-42(33)46(40)30-14-18-35-34-10-6-7-11-43(34)49-44(35)24-30)27-13-19-39-36(22-27)38-26-32(48-2)16-21-41(38)45(39)29-8-4-3-5-9-29/h3-26H,1-2H3
InChIKeyVNVGJWWZXNWBSO-UHFFFAOYSA-N
XLogP11.46
TPSA41.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
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-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
CID 167243403
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole (CID 70658940) is 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole is COc1ccc2c(c1)c1cc(-c3ccc4c5cc(OC)ccc5n(-c5ccc6c(c5)oc5ccccc56)c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole?
The InChIKey is VNVGJWWZXNWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O3/c1-47-31-15-20-40-37(25-31)33-17-12-28(23-42(33)46(40)30-14-18-35-34-10-6-7-11-43(34)49-44(35)24-30)27-13-19-39-36(22-27)38-26-32(48-2)16-21-41(38)45(39)29-8-4-3-5-9-29/h3-26H,1-2H3.
What are the key properties of 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole?
3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole has a molecular weight of 634.74 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-3-yl-6-methoxycarbazol-2-yl)-6-methoxy-9-phenylcarbazole is sourced from PubChem (CID 70658940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).