9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole

C48H33NO — CID 166037349

IUPAC9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESC1=CC2Oc3ccc(-c4cccc(-c5ccccc5-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)cc3C2C=C1
InChIInChI=1S/C48H33NO/c1-3-12-32(13-4-1)35-22-25-45-41(29-35)42-30-36(33-14-5-2-6-15-33)23-26-46(42)49(45)44-20-9-7-18-39(44)38-17-11-16-34(28-38)37-24-27-48-43(31-37)40-19-8-10-21-47(40)50-48/h1-31,40,47H
InChIKeyPYZXNIDYPVAXJP-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.42
Rot. Bonds5

About 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole

9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 166037349) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID166037349
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESC1=CC2Oc3ccc(-c4cccc(-c5ccccc5-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)cc3C2C=C1
InChIInChI=1S/C48H33NO/c1-3-12-32(13-4-1)35-22-25-45-41(29-35)42-30-36(33-14-5-2-6-15-33)23-26-46(42)49(45)44-20-9-7-18-39(44)38-17-11-16-34(28-38)37-24-27-48-43(31-37)40-19-8-10-21-47(40)50-48/h1-31,40,47H
InChIKeyPYZXNIDYPVAXJP-UHFFFAOYSA-N
XLogP12.42
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
CID 163746165
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
1-[4-(5a,9a-dihydrodibenzofuran-2-yl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 71134747
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
9-[4-[9-(5a,9a-dihydrodibenzofuran-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 170113354
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841482
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 166037349) is 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole is C1=CC2Oc3ccc(-c4cccc(-c5ccccc5-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c4)cc3C2C=C1.
What is the InChIKey of 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is PYZXNIDYPVAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-12-32(13-4-1)35-22-25-45-41(29-35)42-30-36(33-14-5-2-6-15-33)23-26-46(42)49(45)44-20-9-7-18-39(44)38-17-11-16-34(28-38)37-24-27-48-43(31-37)40-19-8-10-21-47(40)50-48/h1-31,40,47H.
What are the key properties of 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 639.80 g/mol, XLogP of 12.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 166037349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).