3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole

C112H74N2 — CID 157065974

IUPAC3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)c7)ccc65)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/2C56H37N/c1-3-14-38(15-4-1)40-26-28-41(29-27-40)55-48-21-7-9-23-50(48)56(51-24-10-8-22-49(51)55)42-30-33-46(34-31-42)57-53-25-12-11-20-47(53)52-37-45(32-35-54(52)57)44-19-13-18-43(36-44)39-16-5-2-6-17-39;1-3-16-38(17-4-1)41-20-15-21-42(36-41)43-32-35-54-52(37-43)46-23-13-14-29-53(46)57(54)44-33-30-40(31-34-44)55-48-25-9-11-27-50(48)56(51-28-12-10-26-49(51)55)47-24-8-7-22-45(47)39-18-5-2-6-19-39/h2*1-37H
InChIKeyABWMFHUAMJLZII-UHFFFAOYSA-N
MW1447.84 g/mol
LogP30.85
Rot. Bonds12

About 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole

3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 157065974) has the molecular formula C112H74N2 and a molecular weight of 1447.84 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
PubChem CID157065974
Molecular FormulaC112H74N2
Molecular Weight1447.84 g/mol
Exact Mass1446.59
IUPAC Name3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)c7)ccc65)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/2C56H37N/c1-3-14-38(15-4-1)40-26-28-41(29-27-40)55-48-21-7-9-23-50(48)56(51-24-10-8-22-49(51)55)42-30-33-46(34-31-42)57-53-25-12-11-20-47(53)52-37-45(32-35-54(52)57)44-19-13-18-43(36-44)39-16-5-2-6-17-39;1-3-16-38(17-4-1)41-20-15-21-42(36-41)43-32-35-54-52(37-43)46-23-13-14-29-53(46)57(54)44-33-30-40(31-34-44)55-48-25-9-11-27-50(48)56(51-28-12-10-26-49(51)55)47-24-8-7-22-45(47)39-18-5-2-6-19-39/h2*1-37H
InChIKeyABWMFHUAMJLZII-UHFFFAOYSA-N
XLogP30.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms114
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001447.84
LogP ≤ 530.85
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole (CID 157065974) is 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)c7)ccc65)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is ABWMFHUAMJLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H37N/c1-3-14-38(15-4-1)40-26-28-41(29-27-40)55-48-21-7-9-23-50(48)56(51-24-10-8-22-49(51)55)42-30-33-46(34-31-42)57-53-25-12-11-20-47(53)52-37-45(32-35-54(52)57)44-19-13-18-43(36-44)39-16-5-2-6-17-39;1-3-16-38(17-4-1)41-20-15-21-42(36-41)43-32-35-54-52(37-43)46-23-13-14-29-53(46)57(54)44-33-30-40(31-34-44)55-48-25-9-11-27-50(48)56(51-28-12-10-26-49(51)55)47-24-8-7-22-45(47)39-18-5-2-6-19-39/h2*1-37H.
What are the key properties of 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 1447.84 g/mol, XLogP of 30.85, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 157065974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).