3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole

C44H27NO2 — CID 126681371

IUPAC3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)c5ccccc45)ccc32)cc1
InChIInChI=1S/C44H27NO2/c1-2-12-32(13-3-1)45-39-17-9-8-16-37(39)38-24-30(18-22-40(38)45)33-20-21-34(36-15-7-6-14-35(33)36)31-19-23-41-42(27-31)47-44-26-29-11-5-4-10-28(29)25-43(44)46-41/h1-27H
InChIKeyMDVBENFIOLJCTF-UHFFFAOYSA-N
MW601.71 g/mol
LogP12.32
Rot. Bonds3

About 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole

3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole (PubChem CID 126681371) has the molecular formula C44H27NO2 and a molecular weight of 601.71 g/mol. Its IUPAC name is 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole
PubChem CID126681371
Molecular FormulaC44H27NO2
Molecular Weight601.71 g/mol
Exact Mass601.20
IUPAC Name3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)c5ccccc45)ccc32)cc1
InChIInChI=1S/C44H27NO2/c1-2-12-32(13-3-1)45-39-17-9-8-16-37(39)38-24-30(18-22-40(38)45)33-20-21-34(36-15-7-6-14-35(33)36)31-19-23-41-42(27-31)47-44-26-29-11-5-4-10-28(29)25-43(44)46-41/h1-27H
InChIKeyMDVBENFIOLJCTF-UHFFFAOYSA-N
XLogP12.32
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 129289172
9-phenyl-3-(11-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700467
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333639
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
3-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-9-phenylcarbazole
CID 122629660
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 118441952
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
The IUPAC name of 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole (CID 126681371) is 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)Oc5cc7ccccc7cc5O6)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
The InChIKey is MDVBENFIOLJCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO2/c1-2-12-32(13-3-1)45-39-17-9-8-16-37(39)38-24-30(18-22-40(38)45)33-20-21-34(36-15-7-6-14-35(33)36)31-19-23-41-42(27-31)47-44-26-29-11-5-4-10-28(29)25-43(44)46-41/h1-27H.
What are the key properties of 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole?
3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole has a molecular weight of 601.71 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzo[b]oxanthren-3-ylnaphthalen-1-yl)-9-phenylcarbazole is sourced from PubChem (CID 126681371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).