3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole

C50H35NO — CID 167289275

IUPAC3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole
SMILESC1=CC(c2cccc(C3Cc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)=CCC1
InChIInChI=1S/C50H35NO/c1-2-11-32(12-3-1)33-14-10-15-36(27-33)43-30-37-13-4-5-16-39(37)44-28-34(21-24-40(43)44)35-22-25-48-45(29-35)41-17-6-8-19-47(41)51(48)38-23-26-50-46(31-38)42-18-7-9-20-49(42)52-50/h2,4-29,31,43H,1,3,30H2
InChIKeyDEABCZWHVWNMCK-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.44
Rot. Bonds4

About 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole

3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole (PubChem CID 167289275) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole
PubChem CID167289275
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole
SMILESC1=CC(c2cccc(C3Cc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)=CCC1
InChIInChI=1S/C50H35NO/c1-2-11-32(12-3-1)33-14-10-15-36(27-33)43-30-37-13-4-5-16-39(37)44-28-34(21-24-40(43)44)35-22-25-48-45(29-35)41-17-6-8-19-47(41)51(48)38-23-26-50-46(31-38)42-18-7-9-20-49(42)52-50/h2,4-29,31,43H,1,3,30H2
InChIKeyDEABCZWHVWNMCK-UHFFFAOYSA-N
XLogP13.44
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 163643866
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
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

Frequently Asked Questions

What is the IUPAC name of 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole (CID 167289275) is 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole is C1=CC(c2cccc(C3Cc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)c2)=CCC1.
What is the InChIKey of 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole?
The InChIKey is DEABCZWHVWNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-2-11-32(12-3-1)33-14-10-15-36(27-33)43-30-37-13-4-5-16-39(37)44-28-34(21-24-40(43)44)35-22-25-48-45(29-35)41-17-6-8-19-47(41)51(48)38-23-26-50-46(31-38)42-18-7-9-20-49(42)52-50/h2,4-29,31,43H,1,3,30H2.
What are the key properties of 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole?
3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole has a molecular weight of 665.84 g/mol, XLogP of 13.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 167289275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).