12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole

C72H39N3O3 — CID 122548582

IUPAC12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc3c3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc43)c21
InChIInChI=1S/C72H39N3O3/c1-7-19-61-46(13-1)52-31-34-55-49-16-4-10-22-64(49)76-70(55)67(52)73(61)40-25-28-43-58(37-40)44-29-26-41(74-62-20-8-2-14-47(62)53-32-35-56-50-17-5-11-23-65(50)77-71(56)68(53)74)39-60(44)45-30-27-42(38-59(43)45)75-63-21-9-3-15-48(63)54-33-36-57-51-18-6-12-24-66(51)78-72(57)69(54)75/h1-39H
InChIKeyXJYCZHYUTYIARS-UHFFFAOYSA-N
MW994.12 g/mol
LogP20.14
Rot. Bonds3

About 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole

12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 122548582) has the molecular formula C72H39N3O3 and a molecular weight of 994.12 g/mol. Its IUPAC name is 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID122548582
Molecular FormulaC72H39N3O3
Molecular Weight994.12 g/mol
Exact Mass993.30
IUPAC Name12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc3c3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc43)c21
InChIInChI=1S/C72H39N3O3/c1-7-19-61-46(13-1)52-31-34-55-49-16-4-10-22-64(49)76-70(55)67(52)73(61)40-25-28-43-58(37-40)44-29-26-41(74-62-20-8-2-14-47(62)53-32-35-56-50-17-5-11-23-65(50)77-71(56)68(53)74)39-60(44)45-30-27-42(38-59(43)45)75-63-21-9-3-15-48(63)54-33-36-57-51-18-6-12-24-66(51)78-72(57)69(54)75/h1-39H
InChIKeyXJYCZHYUTYIARS-UHFFFAOYSA-N
XLogP20.14
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.12
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 171612107
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891

Frequently Asked Questions

What is the IUPAC name of 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 122548582) is 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4c(c3)c3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc3c3ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc43)c21.
What is the InChIKey of 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is XJYCZHYUTYIARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H39N3O3/c1-7-19-61-46(13-1)52-31-34-55-49-16-4-10-22-64(49)76-70(55)67(52)73(61)40-25-28-43-58(37-40)44-29-26-41(74-62-20-8-2-14-47(62)53-32-35-56-50-17-5-11-23-65(50)77-71(56)68(53)74)39-60(44)45-30-27-42(38-59(43)45)75-63-21-9-3-15-48(63)54-33-36-57-51-18-6-12-24-66(51)78-72(57)69(54)75/h1-39H.
What are the key properties of 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole?
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 994.12 g/mol, XLogP of 20.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 122548582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).