9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole

C55H41NO2 — CID 145421619

IUPAC9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5cccc(Cc6ccc7c(c6)oc6ccc(C8CCCCC8)cc67)c5)cc4c3c2)cc1
InChIInChI=1S/C55H41NO2/c1-3-11-37(12-4-1)40-19-24-51-46(31-40)44-16-7-8-17-50(44)56(51)43-22-27-54-49(34-43)48-33-42(21-26-53(48)57-54)39-15-9-10-35(29-39)28-36-18-23-45-47-32-41(38-13-5-2-6-14-38)20-25-52(47)58-55(45)30-36/h1,3-4,7-12,15-27,29-34,38H,2,5-6,13-14,28H2
InChIKeyMJBFZIXIBWZCLS-UHFFFAOYSA-N
MW747.94 g/mol
LogP15.56
Rot. Bonds6

About 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole

9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole (PubChem CID 145421619) has the molecular formula C55H41NO2 and a molecular weight of 747.94 g/mol. Its IUPAC name is 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
PubChem CID145421619
Molecular FormulaC55H41NO2
Molecular Weight747.94 g/mol
Exact Mass747.31
IUPAC Name9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5cccc(Cc6ccc7c(c6)oc6ccc(C8CCCCC8)cc67)c5)cc4c3c2)cc1
InChIInChI=1S/C55H41NO2/c1-3-11-37(12-4-1)40-19-24-51-46(31-40)44-16-7-8-17-50(44)56(51)43-22-27-54-49(34-43)48-33-42(21-26-53(48)57-54)39-15-9-10-35(29-39)28-36-18-23-45-47-32-41(38-13-5-2-6-14-38)20-25-52(47)58-55(45)30-36/h1,3-4,7-12,15-27,29-34,38H,2,5-6,13-14,28H2
InChIKeyMJBFZIXIBWZCLS-UHFFFAOYSA-N
XLogP15.56
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.94
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole;3-(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole;9-(18-cyclohexyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole;9-[18-(3,5-diphenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole;9-(18-methyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole;9-(18-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole;9-[18-(8-phenyldibenzofuran-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole;9-[18-(3-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 159574832
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
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-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
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
3,9-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-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
The IUPAC name of 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole (CID 145421619) is 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole.
What is the SMILES notation for 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
The canonical SMILES for 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5cccc(Cc6ccc7c(c6)oc6ccc(C8CCCCC8)cc67)c5)cc4c3c2)cc1.
What is the InChIKey of 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
The InChIKey is MJBFZIXIBWZCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41NO2/c1-3-11-37(12-4-1)40-19-24-51-46(31-40)44-16-7-8-17-50(44)56(51)43-22-27-54-49(34-43)48-33-42(21-26-53(48)57-54)39-15-9-10-35(29-39)28-36-18-23-45-47-32-41(38-13-5-2-6-14-38)20-25-52(47)58-55(45)30-36/h1,3-4,7-12,15-27,29-34,38H,2,5-6,13-14,28H2.
What are the key properties of 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole?
9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole has a molecular weight of 747.94 g/mol, XLogP of 15.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole is sourced from PubChem (CID 145421619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).