2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole

C49H34N2O — CID 163890697

IUPAC2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole
SMILESCC1C=Cc2c(oc3c(-c4ccc(-c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5)cc4)cccc23)C1
InChIInChI=1S/C49H34N2O/c1-31-20-26-42-43-16-9-15-37(49(43)52-48(42)28-31)33-23-21-32(22-24-33)34-10-8-11-35(29-34)51-46-19-7-4-14-40(46)41-27-25-36(30-47(41)51)50-44-17-5-2-12-38(44)39-13-3-6-18-45(39)50/h2-27,29-31H,28H2,1H3
InChIKeyQBGSXUMBHMPWAF-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.17
Rot. Bonds4

About 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole

2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole (PubChem CID 163890697) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole
PubChem CID163890697
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole
SMILESCC1C=Cc2c(oc3c(-c4ccc(-c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5)cc4)cccc23)C1
InChIInChI=1S/C49H34N2O/c1-31-20-26-42-43-16-9-15-37(49(43)52-48(42)28-31)33-23-21-32(22-24-33)34-10-8-11-35(29-34)51-46-19-7-4-14-40(46)41-27-25-36(30-47(41)51)50-44-17-5-2-12-38(44)39-13-3-6-18-45(39)50/h2-27,29-31H,28H2,1H3
InChIKeyQBGSXUMBHMPWAF-UHFFFAOYSA-N
XLogP13.17
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
3,6-bis(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156828
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-[3-(6-phenyldibenzofuran-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159217991
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole (CID 163890697) is 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole is CC1C=Cc2c(oc3c(-c4ccc(-c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5)cc4)cccc23)C1.
What is the InChIKey of 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole?
The InChIKey is QBGSXUMBHMPWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-31-20-26-42-43-16-9-15-37(49(43)52-48(42)28-31)33-23-21-32(22-24-33)34-10-8-11-35(29-34)51-46-19-7-4-14-40(46)41-27-25-36(30-47(41)51)50-44-17-5-2-12-38(44)39-13-3-6-18-45(39)50/h2-27,29-31H,28H2,1H3.
What are the key properties of 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole?
2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole has a molecular weight of 666.82 g/mol, XLogP of 13.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 163890697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).