9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole

C76H48N2 — CID 58963473

IUPAC9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccccc6c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C76H48N2/c1-2-18-50(19-3-1)73-61-24-4-6-26-63(61)74(64-27-7-5-25-62(64)73)51-36-34-49(35-37-51)54-42-47-67-68(48-54)76(53-40-45-56(46-41-53)78-71-32-16-12-22-59(71)60-23-13-17-33-72(60)78)66-29-9-8-28-65(66)75(67)52-38-43-55(44-39-52)77-69-30-14-10-20-57(69)58-21-11-15-31-70(58)77/h1-48H
InChIKeyRUPHGVRHYVHYGJ-UHFFFAOYSA-N
MW989.23 g/mol
LogP20.83
Rot. Bonds7

About 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole

9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 58963473) has the molecular formula C76H48N2 and a molecular weight of 989.23 g/mol. Its IUPAC name is 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
PubChem CID58963473
Molecular FormulaC76H48N2
Molecular Weight989.23 g/mol
Exact Mass988.38
IUPAC Name9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccccc6c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C76H48N2/c1-2-18-50(19-3-1)73-61-24-4-6-26-63(61)74(64-27-7-5-25-62(64)73)51-36-34-49(35-37-51)54-42-47-67-68(48-54)76(53-40-45-56(46-41-53)78-71-32-16-12-22-59(71)60-23-13-17-33-72(60)78)66-29-9-8-28-65(66)75(67)52-38-43-55(44-39-52)77-69-30-14-10-20-57(69)58-21-11-15-31-70(58)77/h1-48H
InChIKeyRUPHGVRHYVHYGJ-UHFFFAOYSA-N
XLogP20.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 520.83
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

9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
CID 130377342
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole (CID 58963473) is 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccccc6c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole?
The InChIKey is RUPHGVRHYVHYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N2/c1-2-18-50(19-3-1)73-61-24-4-6-26-63(61)74(64-27-7-5-25-62(64)73)51-36-34-49(35-37-51)54-42-47-67-68(48-54)76(53-40-45-56(46-41-53)78-71-32-16-12-22-59(71)60-23-13-17-33-72(60)78)66-29-9-8-28-65(66)75(67)52-38-43-55(44-39-52)77-69-30-14-10-20-57(69)58-21-11-15-31-70(58)77/h1-48H.
What are the key properties of 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole?
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 989.23 g/mol, XLogP of 20.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58963473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).