2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran

C48H36O — CID 144511979

IUPAC2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C(c1ccc(-c2ccc(-c4ccc5oc6ccccc6c5c4)cc2)cc1)CC3
InChIInChI=1S/C48H36O/c1-48(2)44-13-7-5-11-39(44)42-28-35-23-25-36(37-9-3-4-10-38(37)41(35)29-45(42)48)33-21-19-31(20-22-33)30-15-17-32(18-16-30)34-24-26-47-43(27-34)40-12-6-8-14-46(40)49-47/h3-22,24,26-29,36H,23,25H2,1-2H3
InChIKeyNNGAZZJOMNEIDX-UHFFFAOYSA-N
MW628.82 g/mol
LogP12.97
Rot. Bonds3

About 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran

2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran (PubChem CID 144511979) has the molecular formula C48H36O and a molecular weight of 628.82 g/mol. Its IUPAC name is 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran
PubChem CID144511979
Molecular FormulaC48H36O
Molecular Weight628.82 g/mol
Exact Mass628.28
IUPAC Name2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C(c1ccc(-c2ccc(-c4ccc5oc6ccccc6c5c4)cc2)cc1)CC3
InChIInChI=1S/C48H36O/c1-48(2)44-13-7-5-11-39(44)42-28-35-23-25-36(37-9-3-4-10-38(37)41(35)29-45(42)48)33-21-19-31(20-22-33)30-15-17-32(18-16-30)34-24-26-47-43(27-34)40-12-6-8-14-46(40)49-47/h3-22,24,26-29,36H,23,25H2,1-2H3
InChIKeyNNGAZZJOMNEIDX-UHFFFAOYSA-N
XLogP12.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran with MolForge

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Related Compounds

2-[4-(3,3-dimethyl-16-pentacyclo[11.9.0.02,10.04,9.017,22]docosa-1(13),2(10),4,6,8,11,17,19,21-nonaenyl)phenyl]dibenzofuran
CID 144512028
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,2,3,4-tetrahydropyrimidine
CID 130374560
2-[3-(10,10-dimethyl-16-pentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145018243
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran (CID 144511979) is 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C(c1ccc(-c2ccc(-c4ccc5oc6ccccc6c5c4)cc2)cc1)CC3.
What is the InChIKey of 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran?
The InChIKey is NNGAZZJOMNEIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36O/c1-48(2)44-13-7-5-11-39(44)42-28-35-23-25-36(37-9-3-4-10-38(37)41(35)29-45(42)48)33-21-19-31(20-22-33)30-15-17-32(18-16-30)34-24-26-47-43(27-34)40-12-6-8-14-46(40)49-47/h3-22,24,26-29,36H,23,25H2,1-2H3.
What are the key properties of 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran?
2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran has a molecular weight of 628.82 g/mol, XLogP of 12.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(10,10-dimethyl-20-pentacyclo[11.9.0.03,11.04,9.014,19]docosa-1,3(11),4,6,8,12,14,16,18-nonaenyl)phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 144511979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).