9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole

C44H29NO — CID 87171652

IUPAC9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
SMILESC1=Cc2oc3c(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5c6ccccc6cc6ccccc56)c4)cccc3c2CC1
InChIInChI=1S/C44H29NO/c1-3-15-33-28(11-1)25-29-12-2-4-16-34(29)43(33)31-13-9-14-32(26-31)45-40-21-7-5-17-36(40)39-27-30(23-24-41(39)45)35-19-10-20-38-37-18-6-8-22-42(37)46-44(35)38/h1-5,7-17,19-27H,6,18H2
InChIKeyJXXGQTXMPKBUND-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.13
Rot. Bonds3

About 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole

9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole (PubChem CID 87171652) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
PubChem CID87171652
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
SMILESC1=Cc2oc3c(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5c6ccccc6cc6ccccc56)c4)cccc3c2CC1
InChIInChI=1S/C44H29NO/c1-3-15-33-28(11-1)25-29-12-2-4-16-34(29)43(33)31-13-9-14-32(26-31)45-40-21-7-5-17-36(40)39-27-30(23-24-41(39)45)35-19-10-20-38-37-18-6-8-22-42(37)46-44(35)38/h1-5,7-17,19-27H,6,18H2
InChIKeyJXXGQTXMPKBUND-UHFFFAOYSA-N
XLogP12.13
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 163750237
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
2,4-diphenyl-6-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 146606209
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
4-[3,5-diphenyl-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-phenyl-8,9-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 168783652
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
CID 87156910

Frequently Asked Questions

What is the IUPAC name of 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole?
The IUPAC name of 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole (CID 87171652) is 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole is C1=Cc2oc3c(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5c6ccccc6cc6ccccc56)c4)cccc3c2CC1.
What is the InChIKey of 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole?
The InChIKey is JXXGQTXMPKBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-15-33-28(11-1)25-29-12-2-4-16-34(29)43(33)31-13-9-14-32(26-31)45-40-21-7-5-17-36(40)39-27-30(23-24-41(39)45)35-19-10-20-38-37-18-6-8-22-42(37)46-44(35)38/h1-5,7-17,19-27H,6,18H2.
What are the key properties of 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole?
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole has a molecular weight of 587.72 g/mol, XLogP of 12.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole is sourced from PubChem (CID 87171652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).