9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole

C62H44N2 — CID 155333067

IUPAC9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7c(c6)c6ccccc6n7CC)c5cc34)ccc21
InChIInChI=1S/C62H44N2/c1-3-63-56-30-14-12-20-44(56)54-36-40(32-34-58(54)63)42-26-16-28-50-52(42)38-53-43(41-33-35-59-55(37-41)45-21-13-15-31-57(45)64(59)4-2)27-17-29-51(53)62(50)61-48-24-10-8-22-46(48)60(39-18-6-5-7-19-39)47-23-9-11-25-49(47)61/h5-38H,3-4H2,1-2H3
InChIKeyHALLQKLVOJIYML-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.22
Rot. Bonds6

About 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole

9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole (PubChem CID 155333067) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
PubChem CID155333067
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7c(c6)c6ccccc6n7CC)c5cc34)ccc21
InChIInChI=1S/C62H44N2/c1-3-63-56-30-14-12-20-44(56)54-36-40(32-34-58(54)63)42-26-16-28-50-52(42)38-53-43(41-33-35-59-55(37-41)45-21-13-15-31-57(45)64(59)4-2)27-17-29-51(53)62(50)61-48-24-10-8-22-46(48)60(39-18-6-5-7-19-39)47-23-9-11-25-49(47)61/h5-38H,3-4H2,1-2H3
InChIKeyHALLQKLVOJIYML-UHFFFAOYSA-N
XLogP17.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.22
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

2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-[4-[4-[2,3,6,7-tetramethyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 161126635
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
3-[4-[4-[2,6-bis(3-methylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-ethylcarbazole;3-[4-(2,3-dimethyl-10-phenylanthracen-9-yl)phenyl]-9-ethylcarbazole
CID 160737474
9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
CID 155333092
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190
9-phenyl-1-[10-phenyl-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]carbazole;9-phenyl-2-[10-phenyl-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]carbazole;9-phenyl-3-[10-phenyl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]carbazole
CID 158188539
9-ethyl-3-(10-naphthalen-1-ylanthracen-9-yl)carbazole;3-(10-phenylanthracen-9-yl)-9-quinolin-3-ylcarbazole;9-phenyl-3,6-bis(10-phenylanthracen-9-yl)carbazole
CID 157185828

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole?
The IUPAC name of 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole (CID 155333067) is 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole is CCn1c2ccccc2c2cc(-c3cccc4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7c(c6)c6ccccc6n7CC)c5cc34)ccc21.
What is the InChIKey of 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole?
The InChIKey is HALLQKLVOJIYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-3-63-56-30-14-12-20-44(56)54-36-40(32-34-58(54)63)42-26-16-28-50-52(42)38-53-43(41-33-35-59-55(37-41)45-21-13-15-31-57(45)64(59)4-2)27-17-29-51(53)62(50)61-48-24-10-8-22-46(48)60(39-18-6-5-7-19-39)47-23-9-11-25-49(47)61/h5-38H,3-4H2,1-2H3.
What are the key properties of 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole?
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole has a molecular weight of 817.05 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).