3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole

C64H40N2 — CID 155333639

IUPAC3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c(-c6ccc7cc8ccccc8cc7c6)c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6cc45)ccc32)cc1
InChIInChI=1S/C64H40N2/c1-3-17-48(18-4-1)65-60-27-11-9-21-52(60)58-38-44(31-33-62(58)65)50-23-13-25-54-56(50)40-57-51(45-32-34-63-59(39-45)53-22-10-12-28-61(53)66(63)49-19-5-2-6-20-49)24-14-26-55(57)64(54)46-30-29-43-35-41-15-7-8-16-42(41)36-47(43)37-46/h1-40H
InChIKeyJJUNSXMBTCJHPJ-UHFFFAOYSA-N
MW837.04 g/mol
LogP17.49
Rot. Bonds5

About 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole

3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole (PubChem CID 155333639) has the molecular formula C64H40N2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
PubChem CID155333639
Molecular FormulaC64H40N2
Molecular Weight837.04 g/mol
Exact Mass836.32
IUPAC Name3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c(-c6ccc7cc8ccccc8cc7c6)c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6cc45)ccc32)cc1
InChIInChI=1S/C64H40N2/c1-3-17-48(18-4-1)65-60-27-11-9-21-52(60)58-38-44(31-33-62(58)65)50-23-13-25-54-56(50)40-57-51(45-32-34-63-59(39-45)53-22-10-12-28-61(53)66(63)49-19-5-2-6-20-49)24-14-26-55(57)64(54)46-30-29-43-35-41-15-7-8-16-42(41)36-47(43)37-46/h1-40H
InChIKeyJJUNSXMBTCJHPJ-UHFFFAOYSA-N
XLogP17.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 517.49
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-anthracen-2-yl-3-naphthalen-1-ylanthracen-9-yl)phenyl]carbazole
CID 130377387
9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155334848
9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
CID 155333092
3-[10-(4,5-diphenylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333594
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
9-phenyl-3-[4-(10-phenylanthracen-1-yl)phenyl]carbazole
CID 141374936
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-1-yl)anthracen-1-yl]-9-phenylcarbazole;2-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-2-yl)anthracen-1-yl]-9-phenylcarbazole;3-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 160793440

Frequently Asked Questions

What is the IUPAC name of 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole (CID 155333639) is 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c(-c6ccc7cc8ccccc8cc7c6)c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6cc45)ccc32)cc1.
What is the InChIKey of 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole?
The InChIKey is JJUNSXMBTCJHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2/c1-3-17-48(18-4-1)65-60-27-11-9-21-52(60)58-38-44(31-33-62(58)65)50-23-13-25-54-56(50)40-57-51(45-32-34-63-59(39-45)53-22-10-12-28-61(53)66(63)49-19-5-2-6-20-49)24-14-26-55(57)64(54)46-30-29-43-35-41-15-7-8-16-42(41)36-47(43)37-46/h1-40H.
What are the key properties of 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole?
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole has a molecular weight of 837.04 g/mol, XLogP of 17.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 155333639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).