3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole

C88H52N2O2 — CID 170302335

About 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole

3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole (PubChem CID 170302335) has the molecular formula C88H52N2O2 and a molecular weight of 1169.40 g/mol. Its IUPAC name is 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
• PubChem CID: 170302335
• Molecular Formula: C88H52N2O2
• Molecular Weight: 1169.40 g/mol
• Exact Mass: 1168.40
• IUPAC Name: 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c(-c8ccc(-n9c%10ccccc%10c%10c(-c%11c%12ccccc%12c(-c%12ccc%13oc%14ccccc%14c%13c%12)c%12ccccc%11%12)cccc%109)cc8)cccc7c6c5)c5ccccc45)ccc32)cc1
• InChI: InChI=1S/C88H52N2O2/c1-2-20-57(21-3-1)89-76-36-15-12-22-60(76)73-50-54(42-47-78(73)89)83-62-24-4-6-26-64(62)84(65-27-7-5-25-63(65)83)56-44-49-82-75(52-56)70-34-18-33-59(88(70)92-82)53-40-45-58(46-41-53)90-77-37-16-13-32-71(77)87-72(35-19-38-79(87)90)86-68-30-10-8-28-66(68)85(67-29-9-11-31-69(67)86)55-43-48-81-74(51-55)61-23-14-17-39-80(61)91-81/h1-52H
• InChIKey: VTMDTTLXEYLBOS-UHFFFAOYSA-N
• XLogP: 24.63
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.40
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole?

The IUPAC name of 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) is 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6oc7c(-c8ccc(-n9c%10ccccc%10c%10c(-c%11c%12ccccc%12c(-c%12ccc%13oc%14ccccc%14c%13c%12)c%12ccccc%11%12)cccc%109)cc8)cccc7c6c5)c5ccccc45)ccc32)cc1.

What is the InChIKey of 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole?

The InChIKey is VTMDTTLXEYLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N2O2/c1-2-20-57(21-3-1)89-76-36-15-12-22-60(76)73-50-54(42-47-78(73)89)83-62-24-4-6-26-64(62)84(65-27-7-5-25-63(65)83)56-44-49-82-75(52-56)70-34-18-33-59(88(70)92-82)53-40-45-58(46-41-53)90-77-37-16-13-32-71(77)87-72(35-19-38-79(87)90)86-68-30-10-8-28-66(68)85(67-29-9-11-31-69(67)86)55-43-48-81-74(51-55)61-23-14-17-39-80(61)91-81/h1-52H.

What are the key properties of 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole?

3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 1169.40 g/mol, XLogP of 24.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 170302335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).