ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole

C59H50N2O — CID 144724361

IUPACethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESC.CC.CC.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4c3)c2)cc1
InChIInChI=1S/C54H34N2O.2C2H6.CH4/c1-3-12-35(13-4-1)36-14-11-15-37(30-36)38-23-27-51-46(31-38)44-19-8-10-21-50(44)56(51)42-25-29-54-48(34-42)47-32-39(24-28-53(47)57-54)40-22-26-45-43-18-7-9-20-49(43)55(52(45)33-40)41-16-5-2-6-17-41;2*1-2;/h1-34H;2*1-2H3;1H4
InChIKeyVWTUDDKBHHTZQV-UHFFFAOYSA-N
MW803.06 g/mol
LogP17.47
Rot. Bonds5

About ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole

ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (PubChem CID 144724361) has the molecular formula C59H50N2O and a molecular weight of 803.06 g/mol. Its IUPAC name is ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Nameethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
PubChem CID144724361
Molecular FormulaC59H50N2O
Molecular Weight803.06 g/mol
Exact Mass802.39
IUPAC Nameethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESC.CC.CC.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4c3)c2)cc1
InChIInChI=1S/C54H34N2O.2C2H6.CH4/c1-3-12-35(13-4-1)36-14-11-15-37(30-36)38-23-27-51-46(31-38)44-19-8-10-21-50(44)56(51)42-25-29-54-48(34-42)47-32-39(24-28-53(47)57-54)40-22-26-45-43-18-7-9-20-49(43)55(52(45)33-40)41-16-5-2-6-17-41;2*1-2;/h1-34H;2*1-2H3;1H4
InChIKeyVWTUDDKBHHTZQV-UHFFFAOYSA-N
XLogP17.47
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.06
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276

Frequently Asked Questions

What is the IUPAC name of ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (CID 144724361) is ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is C.CC.CC.c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c4c3)c2)cc1.
What is the InChIKey of ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is VWTUDDKBHHTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O.2C2H6.CH4/c1-3-12-35(13-4-1)36-14-11-15-37(30-36)38-23-27-51-46(31-38)44-19-8-10-21-50(44)56(51)42-25-29-54-48(34-42)47-32-39(24-28-53(47)57-54)40-22-26-45-43-18-7-9-20-49(43)55(52(45)33-40)41-16-5-2-6-17-41;2*1-2;/h1-34H;2*1-2H3;1H4.
What are the key properties of ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 803.06 g/mol, XLogP of 17.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 144724361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).