6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole

C60H39NO2 — CID 155111392

IUPAC6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9cccc(-c%10cccc(-c%11ccccc%11)c%10)c9)cc8c7c6)cc5c4c3)c3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C60H39NO2/c1-3-11-38(12-4-1)40-15-9-16-41(31-40)42-17-10-18-43(32-42)45-22-27-57-51(34-45)52-35-46(23-28-58(52)62-57)47-24-29-59-53(36-47)54-37-48(25-30-60(54)63-59)61-55-20-8-7-19-49(55)50-33-44(21-26-56(50)61)39-13-5-2-6-14-39/h1-7,9-19,21-37H,8,20H2
InChIKeyZWRZTZNAKONCNU-UHFFFAOYSA-N
MW805.98 g/mol
LogP16.72
Rot. Bonds6

About 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole

6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole (PubChem CID 155111392) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
PubChem CID155111392
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC Name6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9cccc(-c%10cccc(-c%11ccccc%11)c%10)c9)cc8c7c6)cc5c4c3)c3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C60H39NO2/c1-3-11-38(12-4-1)40-15-9-16-41(31-40)42-17-10-18-43(32-42)45-22-27-57-51(34-45)52-35-46(23-28-58(52)62-57)47-24-29-59-53(36-47)54-37-48(25-30-60(54)63-59)61-55-20-8-7-19-49(55)50-33-44(21-26-56(50)61)39-13-5-2-6-14-39/h1-7,9-19,21-37H,8,20H2
InChIKeyZWRZTZNAKONCNU-UHFFFAOYSA-N
XLogP16.72
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
CID 166931652
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole?
The IUPAC name of 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole (CID 155111392) is 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9cccc(-c%10cccc(-c%11ccccc%11)c%10)c9)cc8c7c6)cc5c4c3)c3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole?
The InChIKey is ZWRZTZNAKONCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-3-11-38(12-4-1)40-15-9-16-41(31-40)42-17-10-18-43(32-42)45-22-27-57-51(34-45)52-35-46(23-28-58(52)62-57)47-24-29-59-53(36-47)54-37-48(25-30-60(54)63-59)61-55-20-8-7-19-49(55)50-33-44(21-26-56(50)61)39-13-5-2-6-14-39/h1-7,9-19,21-37H,8,20H2.
What are the key properties of 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole?
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole has a molecular weight of 805.98 g/mol, XLogP of 16.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 155111392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).