9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole

C64H41NO — CID 166689908

IUPAC9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole
SMILESC1=c2oc3c(-c4c5ccccc5c(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc45)cccc3c2=CC(c2c3ccccc3c(-c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C64H41NO/c1-3-19-40(20-4-1)59-43-23-7-9-25-45(43)60(46-26-10-8-24-44(46)59)41-37-38-58-55(39-41)51-32-17-34-54(64(51)66-58)62-49-29-13-11-27-47(49)61(48-28-12-14-30-50(48)62)53-33-18-36-57-63(53)52-31-15-16-35-56(52)65(57)42-21-5-2-6-22-42/h1-36,38-39,41H,37H2
InChIKeyLRZQMVNCMNMJQH-UHFFFAOYSA-N
MW840.04 g/mol
LogP15.89
Rot. Bonds5

About 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole

9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole (PubChem CID 166689908) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole
PubChem CID166689908
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC Name9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole
SMILESC1=c2oc3c(-c4c5ccccc5c(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc45)cccc3c2=CC(c2c3ccccc3c(-c3ccccc3)c3ccccc23)C1
InChIInChI=1S/C64H41NO/c1-3-19-40(20-4-1)59-43-23-7-9-25-45(43)60(46-26-10-8-24-44(46)59)41-37-38-58-55(39-41)51-32-17-34-54(64(51)66-58)62-49-29-13-11-27-47(49)61(48-28-12-14-30-50(48)62)53-33-18-36-57-63(53)52-31-15-16-35-56(52)65(57)42-21-5-2-6-22-42/h1-36,38-39,41H,37H2
InChIKeyLRZQMVNCMNMJQH-UHFFFAOYSA-N
XLogP15.89
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 515.89
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

6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
CID 166872684
4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678
9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
CID 176744049
9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
CID 134391811
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
4-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;9-phenyl-4-[2-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-phenyl-4-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 165044312
4-[8-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenyldibenzofuran
CID 167601105
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
CID 142347158
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole (CID 166689908) is 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole is C1=c2oc3c(-c4c5ccccc5c(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5ccccc45)cccc3c2=CC(c2c3ccccc3c(-c3ccccc3)c3ccccc23)C1.
What is the InChIKey of 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole?
The InChIKey is LRZQMVNCMNMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-3-19-40(20-4-1)59-43-23-7-9-25-45(43)60(46-26-10-8-24-44(46)59)41-37-38-58-55(39-41)51-32-17-34-54(64(51)66-58)62-49-29-13-11-27-47(49)61(48-28-12-14-30-50(48)62)53-33-18-36-57-63(53)52-31-15-16-35-56(52)65(57)42-21-5-2-6-22-42/h1-36,38-39,41H,37H2.
What are the key properties of 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole?
9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole has a molecular weight of 840.04 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[10-[8-(10-phenylanthracen-9-yl)-7,8-dihydrodibenzofuran-4-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 166689908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).